Towards automated crystallographic structure refinement with phenix.refine

Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W.; Mustyakimov, Marat; Terwilliger, Thomas C.; Urzhumtsev, Alexandre; Zwart, Peter H.; Adams, Paul D.

doi:10.1107/S0907444912001308

Title: Towards automated crystallographic structure refinement with phenix.refine

Journal Article · Sun Apr 01 00:00:00 EDT 2012 · Acta Crystallographica. Section D: Biological Crystallography

DOI:https://doi.org/10.1107/S0907444912001308· OSTI ID:22347876

Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W. ^[1]; Mustyakimov, Marat; Terwilliger, Thomas C. ^[2]; Urzhumtsev, Alexandre ^[3]; Zwart, Peter H. ^[1]; Adams, Paul D. ^[1]

Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States)
Los Alamos National Laboratory, M888, Los Alamos, NM 87545 (United States)
CNRS–INSERM–UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France)

phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods. phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An intuitive graphical user interface is available to guide novice users and to assist advanced users in managing refinement projects. X-ray or neutron diffraction data can be used separately or jointly in refinement. phenix.refine is tightly integrated into the PHENIX suite, where it serves as a critical component in automated model building, final structure refinement, structure validation and deposition to the wwPDB. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods.

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OSTI ID:: 22347876

Journal Information:: Acta Crystallographica. Section D: Biological Crystallography, Vol. 68, Issue Pt 4; Other Information: PMCID: PMC3322595; PMID: 22505256; PUBLISHER-ID: ba5180; OAI: oai:pubmedcentral.nih.gov:3322595; Copyright (c) Afonine et al. 2012; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0907-4449

Country of Publication:: Denmark

Language:: English

References (32)

Molecular Dynamics Applied to X-ray Structure Refinement Brunger, Axel T.; Adams, Paul D. Accounts of Chemical Research, Vol. 35, Issue 6 https://doi.org/10.1021/ar010034r	journal	June 2002
Structure of C3b reveals conformational changes that underlie complement activity Janssen, Bert J. C.; Christodoulidou, Agni; McCarthy, Andrew Nature, Vol. 444, Issue 7116 https://doi.org/10.1038/nature05172	journal	October 2006
Crystal Structure of the Cytosolic C2a-C2b Domains of Synaptotagmin III: Implications for Ca Sutton, R. Bryan; Ernst, James A.; Brunger, Axel T. The Journal of Cell Biology, Vol. 147, Issue 3 https://doi.org/10.1083/jcb.147.3.589	journal	November 1999
MolProbity: all-atom contacts and structure validation for proteins and nucleic acids Davis, I. W.; Leaver-Fay, A.; Chen, V. B. Nucleic Acids Research, Vol. 35, Issue Web Server https://doi.org/10.1093/nar/gkm216	journal	May 2007
Torsion angle dynamics: Reduced variable conformational sampling enhances crystallographic structure refinement Rice, Luke M.; BrüNger, Axel T. Proteins: Structure, Function, and Genetics, Vol. 19, Issue 4 https://doi.org/10.1002/prot.340190403	journal	August 1994
Refinement of an enzyme complex with inhibitor bound at partial occupancy Cheetham, J. C.; Artymiuk, P. J.; Phillips, D. C. Journal of Molecular Biology, Vol. 224, Issue 3 https://doi.org/10.1016/0022-2836(92)90548-x	journal	April 1992
Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms Vedadi, Masoud; Lew, Jocelyne; Artz, Jennifer Molecular and Biochemical Parasitology, Vol. 151, Issue 1 https://doi.org/10.1016/j.molbiopara.2006.10.011	journal	January 2007
The benefits of atomic resolution Dauter, Zbigniew; Lamzin, Victor S.; Wilson, Keith S. Current Opinion in Structural Biology, Vol. 7, Issue 5 https://doi.org/10.1016/s0959-440x(97)80078-4	journal	October 1997
Version 1.2 of the Crystallography and NMR system Brunger, Axel T. Nature Protocols, Vol. 2, Issue 11 https://doi.org/10.1038/nprot.2007.406	journal	October 2007
Frequency-restrained structure-factor refinement. I. Histogram simulation Lunin, V. Yu.; Skovoroda, T. P. Acta Crystallographica Section A Foundations of Crystallography, Vol. 47, Issue 1 https://doi.org/10.1107/s0108767390010042	journal	January 1991
A new least-squares refinement technique based on the fast Fourier transform algorithm Agarwal, R. C. Acta Crystallographica Section A, Vol. 34, Issue 5 https://doi.org/10.1107/s0567739478001618	journal	September 1978
The structure of N2 at 49 kbar and 299 K Cromer, D. T.; Mills, R. L.; Schiferi, D. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 37, Issue 1 https://doi.org/10.1107/s0567740881002070	journal	January 1981
PHENIX : building new software for automated crystallographic structure determination Adams, Paul D.; Grosse-Kunstleve, Ralf W.; Hung, Li-Wei Acta Crystallographica Section D Biological Crystallography, Vol. 58, Issue 11 https://doi.org/10.1107/S0907444902016657	journal	October 2002
Considerations for the refinement of low-resolution crystal structures DeLaBarre, Byron; Brunger, Axel T. Acta Crystallographica Section D Biological Crystallography, Vol. 62, Issue 8 https://doi.org/10.1107/S0907444906012650	journal	July 2006
Protein Hydration Observed by X-ray Diffraction Jiang, Jian-Sheng; Brünger, Axel T. Journal of Molecular Biology, Vol. 243, Issue 1 https://doi.org/10.1006/jmbi.1994.1633	journal	October 1994
Recognition of cellooligosaccharides by a family 28 carbohydrate-binding module Tsukimoto, Kazuhide; Takada, Rie; Araki, Yuko FEBS Letters, Vol. 584, Issue 6 https://doi.org/10.1016/j.febslet.2010.02.027	journal	February 2010
Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase Qiu, Chen; Tarrant, Mary K.; Choi, Sung Hee Structure, Vol. 16, Issue 3 https://doi.org/10.1016/j.str.2007.12.016	journal	March 2008
Use of constraints on thermal motion in structure refinement of molecules with librating side groups Prince, E.; Finger, L. W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 2 https://doi.org/10.1107/s0567740873002189	journal	February 1973
High-resolution neutron structure of nicotinamide adenine dinucleotide Guillot, Benoit; Lecomte, Claude; Cousson, Alain Acta Crystallographica Section D Biological Crystallography, Vol. 57, Issue 7 https://doi.org/10.1107/s0907444901007120	journal	June 2001
Conformational strictness required for maximum activity and stability of bovine pancreatic ribonuclease A as revealed by crystallographic study of three Phe120 mutants at 1.4 A resolution Chatani, E. Protein Science, Vol. 11, Issue 1 https://doi.org/10.1110/ps.ps.31102	journal	January 2002
FROG – high-speed restraint–constraint refinement program for macromolecular structure Urzhumtsev, A. G.; Lunin, V. Yu.; Vernoslova, E. A. Journal of Applied Crystallography, Vol. 22, Issue 5 https://doi.org/10.1107/s0021889889004905	journal	October 1989
Joint X-ray and neutron data refinement of structural and charge density parameters Coppens, P.; Boehme, R.; Price, P. F. Acta Crystallographica Section A, Vol. 37, Issue 6 https://doi.org/10.1107/s0567739481001873	journal	November 1981
X-ray structure determination at low resolution Brunger, Axel T.; DeLaBarre, Byron; Davies, Jason M. Acta Crystallographica Section D Biological Crystallography, Vol. 65, Issue 2 https://doi.org/10.1107/s0907444908043795	journal	January 2009
Assessment of phase accuracy by cross validation: the free R value. Methods and applications Brünger, A. T. Acta Crystallographica Section D Biological Crystallography, Vol. 49, Issue 1 https://doi.org/10.1107/s0907444992007352	journal	January 1993
On the derivation of dynamic information from diffraction data Stuart, D. I.; Phillips, D. C. Methods in Enzymology https://doi.org/10.1016/0076-6879(85)15011-1	book	January 1985
Sub-Ångstrom resolution enzyme X-ray structures: is seeing believing? Vrielink, Alice; Sampson, Nicole Current Opinion in Structural Biology, Vol. 13, Issue 6 https://doi.org/10.1016/j.sbi.2003.10.012	journal	December 2003
Crystal structure of cathepsin X: a flip–flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease Gunčar, Gregor; Klemenčič, Ivica; Turk, Boris Structure, Vol. 8, Issue 3 https://doi.org/10.1016/s0969-2126(00)00108-8	journal	March 2000
Conformational variability in the refined structure of the chaperonin GroEL at 2.8 Å resolution Braig, Kerstin; Adams, Paul D.; Brünger, Axel T. Nature Structural & Molecular Biology, Vol. 2, Issue 12 https://doi.org/10.1038/nsb1295-1083	journal	December 1995
Structural models of human apolipoprotein A-I Brouillette, Christie G.; Anantharamaiah, G. M. Biochimica et Biophysica Acta (BBA) - Lipids and Lipid Metabolism, Vol. 1256, Issue 2 https://doi.org/10.1016/0005-2760(95)00018-8	journal	May 1995
Crystal structure of a Cbtx–AChBP complex reveals essential interactions between snake α-neurotoxins and nicotinic receptors Bourne, Yves; Talley, Todd T.; Hansen, Scott B. The EMBO Journal, Vol. 25, Issue 1 https://doi.org/10.1038/sj.emboj.7600865	journal	January 2006
Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models. Terwilliger, Thomas C.; Grosse-Kunstleve, Ralf W.; Afonine, Pavel V. Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.49143	text	January 2007
Overview of the CCP4 suite and current developments. Winn, Martyn D.; Ballard, Charles C.; Cowtan, Kevin D. Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.52322	text	January 2011

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Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95 Camara-Artigas, Ana; Murciano-Calles, Javier; Martínez, Jose C. Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 4 https://doi.org/10.1107/s2059798319001980	journal	March 2019
Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates Ribeiro, João Augusto; Chavez-Pacheco, Sair Maximo; de Oliveira, Gabriel Stephani Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 7 https://doi.org/10.1107/s205979831900901x	journal	July 2019
Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus Hasse, Dirk; Hülsemann, Janne; Carlsson, Gunilla H. Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 12 https://doi.org/10.1107/s2059798319014852	journal	November 2019
Catalytic mechanism and evolutionary characteristics of thioredoxin from Halobacterium salinarum NRC-1 Arai, Shigeki; Shibazaki, Chie; Shimizu, Rumi Acta Crystallographica Section D Structural Biology, Vol. 76, Issue 1 https://doi.org/10.1107/s2059798319015894	journal	January 2020
High-resolution studies of hydride transfer in the ferredoxin:NADP ⁺ reductase superfamily Kean, Kelsey M.; Carpenter, Russell A.; Pandini, Vittorio The FEBS Journal, Vol. 284, Issue 19 https://doi.org/10.1111/febs.14190	journal	August 2017
Structural basis for PDZ domain interactions in the post-synaptic density scaffolding protein Shank3 Ponna, Srinivas Kumar; Ruskamo, Salla; Myllykoski, Matti Journal of Neurochemistry, Vol. 145, Issue 6 https://doi.org/10.1111/jnc.14322	journal	June 2018
Molecular insights into the master regulator CysB‐mediated bacterial virulence in Pseudomonas aeruginosa Song, Yaqin; Yang, Chun; Chen, Gukui Molecular Microbiology, Vol. 111, Issue 5 https://doi.org/10.1111/mmi.14200	journal	March 2019
Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor Burg, J. S.; Ingram, J. R.; Venkatakrishnan, A. J. Science, Vol. 347, Issue 6226 https://doi.org/10.1126/science.aaa5026	journal	March 2015
Design of structurally distinct proteins using strategies inspired by evolution Jacobs, T. M.; Williams, B.; Williams, T. Science, Vol. 352, Issue 6286 https://doi.org/10.1126/science.aad8036	journal	May 2016
The 3.8 A resolution cryo-EM structure of Zika virus Sirohi, D.; Chen, Z.; Sun, L. Science, Vol. 352, Issue 6284 https://doi.org/10.1126/science.aaf5316	journal	March 2016
Assembly principles and structure of a 6.5-MDa bacterial microcompartment shell Sutter, Markus; Greber, Basil; Aussignargues, Clement Science, Vol. 356, Issue 6344 https://doi.org/10.1126/science.aan3289	journal	June 2017
Cryo-EM structure of a herpesvirus capsid at 3.1 Å Yuan, Shuai; Wang, Jialing; Zhu, Dongjie Science, Vol. 360, Issue 6384 https://doi.org/10.1126/science.aao7283	journal	April 2018
Glucan Binding Protein C of Streptococcus mutans Mediates both Sucrose-Independent and Sucrose-Dependent Adherence Mieher, Joshua L.; Larson, Matthew R.; Schormann, Norbert Infection and Immunity, Vol. 86, Issue 7 https://doi.org/10.1128/iai.00146-18	journal	April 2018
Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion Arnling Bååth, Jenny; Mazurkewich, Scott; Knudsen, Rasmus Meland Biotechnology for Biofuels, Vol. 11, Issue 1 https://doi.org/10.1186/s13068-018-1213-x	journal	August 2018
Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors Cao, Lei; Liu, Pi; Yang, Pan PLOS Biology, Vol. 17, Issue 4 https://doi.org/10.1371/journal.pbio.3000229	journal	April 2019
The Pilin Protein FimP from Actinomyces oris: Crystal Structure and Sequence Analyses Persson, Karina; Esberg, Anders; Claesson, Rolf PLoS ONE, Vol. 7, Issue 10 https://doi.org/10.1371/journal.pone.0048364	journal	October 2012
Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion Abskharon, Romany; Wang, Fei; Wohlkonig, Alexandre PLOS Pathogens, Vol. 15, Issue 12 https://doi.org/10.1371/journal.ppat.1008139	journal	December 2019
Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands Suckling, Richard J.; Korona, Boguslawa; Whiteman, Pat The EMBO Journal, Vol. 36, Issue 15 https://doi.org/10.15252/embj.201796632	journal	June 2017
Crystal Structure of Bovine Alpha-Chymotrypsin in Space Group P65 Marshall, Andrew; Keiller, Benjamin; Pederick, Jordan Crystals, Vol. 8, Issue 12 https://doi.org/10.3390/cryst8120460	journal	December 2018
A Novel Substrate-Binding Site in the X-ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion Annia, Rodríguez-Hernández; Romo-Arévalo, Enrique; Rodríguez-Romero, Adela Crystals, Vol. 9, Issue 12 https://doi.org/10.3390/cryst9120622	journal	November 2019
A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones Siebert, Matthias; Böhme, Mathias A.; Driller, Jan H. eLife, Vol. 4 https://doi.org/10.7554/elife.06935	journal	August 2015
Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima Morgunova, Ekaterina; Yin, Yimeng; Das, Pratyush K. eLife, Vol. 7 https://doi.org/10.7554/elife.32963	journal	April 2018
Architectural principles for Hfq/Crc-mediated regulation of gene expression Pei, Xue Yuan; Dendooven, Tom; Sonnleitner, Elisabeth eLife, Vol. 8 https://doi.org/10.7554/elife.43158	journal	February 2019
Structural and Biochemical Characterization of an Octameric Carbohydrate Acetylesterase from Sinorhizobium meliloti Oh, Changsuk; Ryu, Bum Han; An, Deu Rae FEBS Letters, Vol. 590, Issue 8 https://doi.org/10.1002/1873-3468.12135	journal	March 2016
The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme Mazzei, Luca; Cianci, Michele; Benini, Stefano Chemistry – A European Journal, Vol. 25, Issue 52 https://doi.org/10.1002/chem.201902320	journal	August 2019
Structural basis for recognition of synaptic vesicle protein 2C by botulinum neurotoxin A Benoit, Roger M.; Frey, Daniel; Hilbert, Manuel Nature, Vol. 505, Issue 7481 https://doi.org/10.1038/nature12732	journal	November 2013
X-ray structures and mechanism of the human serotonin transporter Coleman, Jonathan A.; Green, Evan M.; Gouaux, Eric Nature, Vol. 532, Issue 7599 https://doi.org/10.1038/nature17629	journal	April 2016
Mechanistic insights into the alternative translation termination by ArfA and RF2 Ma, Chengying; Kurita, Daisuke; Li, Ningning Nature, Vol. 541, Issue 7638 https://doi.org/10.1038/nature20822	journal	December 2016
Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases Mori, Takahiro; Zhang, Lihan; Awakawa, Takayoshi Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10849	journal	March 2016
The 40-residue insertion in Vibrio cholerae FadR facilitates binding of an additional fatty acyl-CoA ligand Shi, Wei; Kovacikova, Gabriela; Lin, Wei Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7032	journal	January 2015
Structural basis for λN-dependent processive transcription antitermination Said, Nelly; Krupp, Ferdinand; Anedchenko, Ekaterina Nature Microbiology, Vol. 2, Issue 7 https://doi.org/10.1038/nmicrobiol.2017.62	journal	April 2017
The N-terminal acetylation of Sir3 stabilizes its binding to the nucleosome core particle Arnaudo, Nadia; Fernández, Israel S.; McLaughlin, Stephen H. Nature Structural & Molecular Biology, Vol. 20, Issue 9 https://doi.org/10.1038/nsmb.2641	journal	August 2013
E2 ubiquitin-conjugating enzymes regulate the deubiquitinating activity of OTUB1 Wiener, Reuven; DiBello, Anthony T.; Lombardi, Patrick M. Nature Structural & Molecular Biology, Vol. 20, Issue 9 https://doi.org/10.1038/nsmb.2655	journal	August 2013
Structure of Nipah virus unassembled nucleoprotein in complex with its viral chaperone Yabukarski, Filip; Lawrence, Philip; Tarbouriech, Nicolas Nature Structural & Molecular Biology, Vol. 21, Issue 9 https://doi.org/10.1038/nsmb.2868	journal	August 2014
Molecular insights into lipid-assisted Ca2+ regulation of the TRP channel Polycystin-2 Wilkes, Martin; Madej, M. Gregor; Kreuter, Lydia Nature Structural & Molecular Biology, Vol. 24, Issue 2 https://doi.org/10.1038/nsmb.3357	journal	January 2017
Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme Sun, Qiu; Hu, Yuehong; Gu, Yijun Signal Transduction and Targeted Therapy, Vol. 4, Issue 1 https://doi.org/10.1038/s41392-019-0052-y	journal	May 2019
Heparan sulfate proteoglycans present PCSK9 to the LDL receptor Gustafsen, Camilla; Olsen, Ditte; Vilstrup, Joachim Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00568-7	journal	September 2017
Development of an antibody fragment that stabilizes GPCR/G-protein complexes Maeda, Shoji; Koehl, Antoine; Matile, Hugues Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06002-w	journal	September 2018
Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly Gui, Xinrui; Luo, Feng; Li, Yichen Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09902-7	journal	May 2019
Structural basis for lamin assembly at the molecular level Ahn, Jinsook; Jo, Inseong; Kang, So-mi Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-11684-x	journal	August 2019
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors Nass, Karol; Redecke, Lars; Perbandt, M. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14484-w	journal	January 2020
Identification of H3K4me1-associated proteins at mammalian enhancers Local, Andrea; Huang, Hui; Albuquerque, Claudio P. Nature Genetics, Vol. 50, Issue 1 https://doi.org/10.1038/s41588-017-0015-6	journal	December 2017
Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation Luo, Feng; Gui, Xinrui; Zhou, Heng Nature Structural & Molecular Biology, Vol. 25, Issue 4 https://doi.org/10.1038/s41594-018-0050-8	journal	April 2018
Crystal structure of ErmE - 23S rRNA methyltransferase in macrolide resistance Stsiapanava, Alena; Selmer, Maria Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-51174-0	journal	October 2019
Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models Ruszkowski, Milosz; Sekula, Bartosz; Ruszkowska, Agnieszka Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-56043-4	journal	December 2019
Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine Fu, Tianran; Liu, Liping; Yang, Qing-Lin Chemical Science, Vol. 10, Issue 31 https://doi.org/10.1039/c9sc02807b	journal	January 2019
Crystal structure of the FRP and identification of the active site for modulation of OCP-mediated photoprotection in cyanobacteria Sutter, M.; Wilson, A.; Leverenz, R. L. Proceedings of the National Academy of Sciences, Vol. 110, Issue 24 https://doi.org/10.1073/pnas.1303673110	journal	May 2013
Structure of deformed wing virus, a major honey bee pathogen Škubník, Karel; Nováček, Jiří; Füzik, Tibor Proceedings of the National Academy of Sciences, Vol. 114, Issue 12 https://doi.org/10.1073/pnas.1615695114	journal	March 2017
Affimer proteins inhibit immune complex binding to FcγRIIIa with high specificity through competitive and allosteric modes of action Robinson, James I.; Baxter, Euan W.; Owen, Robin L. Proceedings of the National Academy of Sciences, Vol. 115, Issue 1 https://doi.org/10.1073/pnas.1707856115	journal	December 2017
Crystal structures of a [NiFe] hydrogenase large subunit HyhL in an immature state in complex with a Ni chaperone HypA Kwon, Sunghark; Watanabe, Satoshi; Nishitani, Yuichi Proceedings of the National Academy of Sciences, Vol. 115, Issue 27 https://doi.org/10.1073/pnas.1801955115	journal	June 2018
Unsupervised determination of protein crystal structures Ufimtsev, Ivan S.; Levitt, Michael Proceedings of the National Academy of Sciences, Vol. 116, Issue 22 https://doi.org/10.1073/pnas.1821512116	journal	May 2019
Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals Wang, Chao; Ye, Fuzhou; Chang, Changqing Proceedings of the National Academy of Sciences, Vol. 116, Issue 44 https://doi.org/10.1073/pnas.1903695116	journal	October 2019
Overcoming insecticide resistance through computational inhibitor design Correy, Galen J.; Zaidman, Daniel; Harmelin, Alon Proceedings of the National Academy of Sciences, Vol. 116, Issue 42 https://doi.org/10.1073/pnas.1909130116	journal	October 2019
Two-step Ligand Binding in a (βα)8 Barrel Enzyme Söderholm, Annika; Guo, Xiaohu; Newton, Matilda S. Journal of Biological Chemistry, Vol. 290, Issue 41 https://doi.org/10.1074/jbc.m115.678086	journal	October 2015
Structural basis of exo-β-mannanase activity in the GH2 family Domingues, Mariane Noronha; Souza, Flavio Henrique Moreira; Vieira, Plínio Salmazo Journal of Biological Chemistry, Vol. 293, Issue 35 https://doi.org/10.1074/jbc.RA118.002374	journal	August 2018
Cryo-EM structure of the cytoplasmic domain of murine transient receptor potential cation channel subfamily C member 6 (TRPC6) Azumaya, Caleigh M.; Sierra-Valdez, Francisco; Cordero-Morales, Julio F. Journal of Biological Chemistry, Vol. 293, Issue 26 https://doi.org/10.1074/jbc.RA118.003183	journal	June 2018
Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase from Salmonella enterica Stern, Ana Laura; Van der Verren, Sander Egbert; Kanchugal P., Sandesh Journal of Biological Chemistry, Vol. 293, Issue 29 https://doi.org/10.1074/jbc.ra118.003989	journal	July 2018
Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin Cohen, Itay; Coban, Matt; Shahar, Anat Journal of Biological Chemistry, Vol. 294, Issue 13 https://doi.org/10.1074/jbc.RA118.007292	journal	January 2019
Characterizing pathological imperfections in macromolecular crystals: lattice disorders and modulations Lovelace, Jeffrey J.; Borgstahl, Gloria E. O. Crystallography Reviews, Vol. 26, Issue 1 https://doi.org/10.1080/0889311x.2019.1692341	journal	December 2019
Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion Yan, Liming; Sun, Sha; Wang, Wei Journal of Cell Biology, Vol. 210, Issue 6 https://doi.org/10.1083/jcb.201502078	journal	September 2015
Structural insights into DNA degradation by human mitochondrial nuclease MGME1 Yang, Chun; Wu, Ruiqi; Liu, Hehua Nucleic Acids Research https://doi.org/10.1093/nar/gky855	journal	September 2018
Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and phosphate release Kumpula, Esa-Pekka; López, Andrea J.; Tajedin, Leila PLOS Biology https://doi.org/10.1101/467423	posted_content	January 2018
A structure-based model for the electrostatic interaction of the N-terminus of protein tau with the fibril core of Alzheimer’s Disease filaments Boyer, David R.; Eisenberg, David S. Alzheimer's & Dementia https://doi.org/10.1101/484279	posted_content	January 2018
Crystal structure of the LRR ectodomain of the plant immune receptor kinase SOBIR1 Hohmann, Ulrich; Hothorn, Michael Acta Crystallographica Section D Structural Biology https://doi.org/10.1101/581231	posted_content	January 2019
In-vivo crystals reveal protein interactions Martin, Eleanor R.; Barbieri, Alessandro; Ford, Robert C. Research Gate https://doi.org/10.1101/778779	posted_content	January 2019
Structure–function relationships in Gan42B, an intracellular GH42 β-galactosidase from Geobacillus stearothermophilus Solomon, Hodaya V.; Tabachnikov, Orly; Lansky, Shifra Acta Crystallographica Section D Biological Crystallography, Vol. 71, Issue 12 https://doi.org/10.1107/s1399004715018672	journal	November 2015
Conservation of the structure and function of bacterial tryptophan synthases Michalska, Karolina; Gale, Jennifer; Joachimiak, Grazyna IUCrJ, Vol. 6, Issue 4 https://doi.org/10.1107/S2052252519005955	journal	May 2019
Structure of the HIV-1 reverse transcriptase Q151M mutant: insights into the inhibitor resistance of HIV-1 reverse transcriptase and the structure of the nucleotide-binding pocket ofHepatitis B viruspolymerase Nakamura, Akiyoshi; Tamura, Noriko; Yasutake, Yoshiaki Acta Crystallographica Section F Structural Biology Communications, Vol. 71, Issue 11 https://doi.org/10.1107/s2053230x15017896	journal	October 2015
Crystal structure of the glycoside hydrolase PssZ from Listeria monocytogenes Wu, Huijun; Qiao, Shuai; Li, Defeng Acta Crystallographica Section F Structural Biology Communications, Vol. 75, Issue 7 https://doi.org/10.1107/s2053230x19008100	journal	June 2019
Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68 Truong, Jia Quyen; Panjikar, Santosh; Shearwin-Whyatt, Linda International Union of Crystallography (IUCr) https://doi.org/10.1107/s2059798319009008/jb5009sup1.pdf	text	January 2019
The flavin mononucleotide cofactor in α-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level Lyu, Syue-Yi; Lin, Kuan-Hung; Yeh, Hsien-Wei Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 10 https://doi.org/10.1107/s2059798319011938	journal	September 2019
Crystal structure and catalytic activity of the PPM1K N94K mutant Dolatabad, Meisam Rostaminasab; Guo, Lu-lu; Xiao, Peng Journal of Neurochemistry, Vol. 148, Issue 4 https://doi.org/10.1111/jnc.14631	journal	January 2019
Interface interactions between βγ-crystallin domain and Ig-like domain render Ca ²⁺ -binding site inoperative in abundant perithecial protein of Neurospora crassa: Regulation of Ca ²⁺ binding by interdomain interface Swaroop Srivastava, Shanti; Raman, Rajeev; Kiran, Uday Molecular Microbiology, Vol. 110, Issue 6 https://doi.org/10.1111/mmi.14130	journal	October 2018
A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad Kumar, Prashasti; Serpersu, Engin H.; Cuneo, Matthew J. Science Advances, Vol. 4, Issue 4 https://doi.org/10.1126/sciadv.aas8667	journal	April 2018
A Structurally Distinct Human Mycoplasma Protein that Generically Blocks Antigen-Antibody Union Grover, R. K.; Zhu, X.; Nieusma, T. Science, Vol. 343, Issue 6171 https://doi.org/10.1126/science.1246135	journal	February 2014
Architecture of African swine fever virus and implications for viral assembly Wang, Nan; Zhao, Dongming; Wang, Jialing Science, Vol. 366, Issue 6465 https://doi.org/10.1126/science.aaz1439	journal	October 2019
Structural Differences between the Woodchuck Hepatitis Virus Core Protein in the Dimer and Capsid States Are Consistent with Entropic and Conformational Regulation of Assembly Zhao, Zhongchao; Wang, Joseph Che-Yen; Gonzalez-Gutierrez, Giovanni Journal of Virology, Vol. 93, Issue 14 https://doi.org/10.1128/jvi.00141-19	journal	July 2019
Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design Miao, Yi; Tenor, Jennifer L.; Toffaletti, Dena L. mBio, Vol. 8, Issue 4 https://doi.org/10.1128/mbio.00643-17	journal	July 2017
Nucleobase carbonyl groups are poor Mg ²⁺ inner-sphere binders but excellent monovalent ion binders—a critical PDB survey Leonarski, Filip; D'Ascenzo, Luigi; Auffinger, Pascal RNA, Vol. 25, Issue 2 https://doi.org/10.1261/rna.068437.118	journal	November 2018
Structural Basis of Rap Phosphatase Inhibition by Phr Peptides Gallego del Sol, Francisca; Marina, Alberto PLoS Biology, Vol. 11, Issue 3 https://doi.org/10.1371/journal.pbio.1001511	journal	March 2013
Crystal structure and insights into the oligomeric state of UDP-glucose pyrophosphorylase from sugarcane Cotrim, Camila A.; Soares, Jose Sergio M.; Kobe, Bostjan PLOS ONE, Vol. 13, Issue 3 https://doi.org/10.1371/journal.pone.0193667	journal	March 2018
A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes Penttinen, Leena; Rutanen, Chiara; Saloheimo, Markku PLOS ONE, Vol. 13, Issue 5 https://doi.org/10.1371/journal.pone.0196691	journal	May 2018
Role of the highly conserved G68 residue in the yeast phosphorelay protein Ypd1: implications for interactions between histidine phosphotransfer (HPt) and response regulator proteins N., Kennedy, Emily; A., Foster, Clay; K., Menon, Smita BioMed Central https://doi.org/10.17615/7khw-5065	text	January 2019
Serial protein crystallography in an electron microscope Bücker, Robert; Hogan-Lamarre, Pascal; Mehrabi, Pedram Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2020-00822	text	January 2020
3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-Sites for High-Affinity and High-Selectivity Inhibition of Galectin-3 Dahlqvist, Alexander; Mandal, Santanu; Peterson, Kristoffer Molecules, Vol. 24, Issue 24 https://doi.org/10.3390/molecules24244554	journal	December 2019
Acidic pH and divalent cation sensing by PhoQ are dispensable for systemic salmonellae virulence Hicks, Kevin G.; Delbecq, Scott P.; Sancho-Vaello, Enea eLife, Vol. 4 https://doi.org/10.7554/eLife.06792	journal	May 2015
Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli Zimanyi, Christina M.; Chen, Percival Yang-Ting; Kang, Gyunghoon eLife, Vol. 5 https://doi.org/10.7554/eLife.07141	journal	January 2016
A broadly distributed toxin family mediates contact-dependent antagonism between gram-positive bacteria Whitney, John C.; Peterson, S. Brook; Kim, Jungyun eLife, Vol. 6 https://doi.org/10.7554/eLife.26938	journal	July 2017
Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy Miles, Timothy F.; Spiess, Katja; Jude, Kevin M. eLife, Vol. 7 https://doi.org/10.7554/elife.35850	journal	June 2018
Self-capping of nucleoprotein filaments protects the Newcastle disease virus genome Song, Xiyong; Shan, Hong; Zhu, Yanping eLife, Vol. 8 https://doi.org/10.7554/eLife.45057	journal	July 2019
Human aldehyde oxidase ( hAOX 1): structure determination of the Moco‐free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms Mota, Cristiano; Esmaeeli, Mariam; Coelho, Catarina FEBS Open Bio, Vol. 9, Issue 5 https://doi.org/10.1002/2211-5463.12617	journal	April 2019
C7orf59/LAMTOR4 phosphorylation and structural flexibility modulate Ragulator assembly Rasheed, Nadia; Lima, Tatiani B.; Mercaldi, Gustavo F. FEBS Open Bio, Vol. 9, Issue 9 https://doi.org/10.1002/2211-5463.12700	journal	July 2019
Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates Katz, Francine S.; Pecic, Stevan; Tran, Timothy H. ChemBioChem, Vol. 16, Issue 15 https://doi.org/10.1002/cbic.201500348	journal	September 2015
Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold Jimenez-Sandoval, Pedro; Madrigal-Carrillo, Ezequiel A.; Santamaría-Suárez, Hugo A. Proteins: Structure, Function, and Bioinformatics, Vol. 86, Issue 7 https://doi.org/10.1002/prot.25519	journal	May 2018
On the structure and function of Escherichia coli YjhC: An oxidoreductase involved in bacterial sialic acid metabolism Horne, Christopher R.; Kind, Laura; Davies, James S. Proteins: Structure, Function, and Bioinformatics, Vol. 88, Issue 5 https://doi.org/10.1002/prot.25846	journal	May 2020
Molecular dynamics simulations of macromolecular crystals Cerutti, David S.; Case, David A. Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 9, Issue 4 https://doi.org/10.1002/wcms.1402	journal	November 2018
Selecting Conformational Ensembles Using Residual Electron and Anomalous Density (READ) Salmon, Loïc; Ahlstrom, Logan S.; Bardwell, James C. A. Protein Complex Assembly https://doi.org/10.1007/978-1-4939-7759-8_31	book	January 2018
Unique Structural Features of the Mitochondrial AAA+ Protease AFG3L2 Reveal the Molecular Basis for Activity in Health and Disease Puchades, Cristina; Ding, Bojian; Song, Albert Molecular Cell, Vol. 75, Issue 5 https://doi.org/10.1016/j.molcel.2019.06.016	journal	September 2019
Structure of the toxic core of α-synuclein from invisible crystals Rodriguez, Jose A.; Ivanova, Magdalena I.; Sawaya, Michael R. Nature, Vol. 525, Issue 7570 https://doi.org/10.1038/nature15368	journal	September 2015
Crystal structure of the human σ1 receptor Schmidt, Hayden R.; Zheng, Sanduo; Gurpinar, Esin Nature, Vol. 532, Issue 7600 https://doi.org/10.1038/nature17391	journal	April 2016
Structural basis for Epstein–Barr virus host cell tropism mediated by gp42 and gHgL entry glycoproteins Sathiyamoorthy, Karthik; Hu, Yao Xiong; Möhl, Britta S. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13557	journal	December 2016
Structure of the RBM7–ZCCHC8 core of the NEXT complex reveals connections to splicing factors Falk, Sebastian; Finogenova, Ksenia; Melko, Mireille Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13573	journal	December 2016
A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin Sgromo, Annamaria; Raisch, Tobias; Bawankar, Praveen Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14307	journal	February 2017
Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy Kern, Jan; Tran, Rosalie; Alonso-Mori, Roberto Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5371	journal	July 2014
Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity Matthews, Melissa M.; Thomas, Justin M.; Zheng, Yuxuan Nature Structural & Molecular Biology, Vol. 23, Issue 5 https://doi.org/10.1038/nsmb.3203	journal	April 2016
Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution Zhao, Chen; Pyle, Anna Marie Nature Structural & Molecular Biology, Vol. 23, Issue 6 https://doi.org/10.1038/nsmb.3224	journal	May 2016
DNA-binding mechanism of the Hippo pathway transcription factor TEAD4 Shi, Z.; He, F.; Chen, M. Oncogene, Vol. 36, Issue 30 https://doi.org/10.1038/onc.2017.24	journal	April 2017
Plant-made polio type 3 stabilized VLPs—a candidate synthetic polio vaccine Marsian, Johanna; Fox, Helen; Bahar, Mohammad W. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00090-w	journal	August 2017
A general mechanism of ribosome dimerization revealed by single-particle cryo-electron microscopy Franken, Linda E.; Oostergetel, Gert T.; Pijning, Tjaard Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00718-x	journal	September 2017
Structural basis for the activation of acid ceramidase Gebai, Ahmad; Gorelik, Alexei; Li, Zixian Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03844-2	journal	April 2018
Enzymatic one-step ring contraction for quinolone biosynthesis Kishimoto, Shinji; Hara, Kodai; Hashimoto, Hiroshi Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05221-5	journal	July 2018
A therapeutic approach to pantothenate kinase associated neurodegeneration Sharma, Lalit Kumar; Subramanian, Chitra; Yun, Mi-Kyung Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06703-2	journal	October 2018
Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues Chen, Yiqing; Liu, Hehua; Yang, Chun Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08296-w	journal	January 2019
Molecular architecture of a cylindrical self-assembly at human centrosomes Kim, Tae-Sung; Zhang, Liang; Il Ahn, Jong Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08838-2	journal	March 2019
Structure of the IFNγ receptor complex guides design of biased agonists Mendoza, Juan L.; Escalante, Nichole K.; Jude, Kevin M. Nature, Vol. 567, Issue 7746 https://doi.org/10.1038/s41586-019-0988-7	journal	February 2019
Structure and gating mechanism of the transient receptor potential channel TRPV3 Singh, Appu K.; McGoldrick, Luke L.; Sobolevsky, Alexander I. Nature Structural & Molecular Biology, Vol. 25, Issue 9 https://doi.org/10.1038/s41594-018-0108-7	journal	August 2018
Structures of the ISWI–nucleosome complex reveal a conserved mechanism of chromatin remodeling Yan, Lijuan; Wu, Hao; Li, Xuemei Nature Structural & Molecular Biology, Vol. 26, Issue 4 https://doi.org/10.1038/s41594-019-0199-9	journal	March 2019
Receptor subtype discrimination using extensive shape complementary designed interfaces Dang, Luke T.; Miao, Yi; Ha, Andrew Nature Structural & Molecular Biology, Vol. 26, Issue 6 https://doi.org/10.1038/s41594-019-0224-z	journal	May 2019
Structure of the human TRiC/CCT Subunit 5 associated with hereditary sensory neuropathy Pereira, Jose H.; McAndrew, Ryan P.; Sergeeva, Oksana A. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-03825-3	journal	June 2017
Structural cycle of the Thermus thermophilus PilF ATPase: the powering of type IVa pilus assembly Collins, Richard; Karuppiah, Vijaykumar; Siebert, C. Alistair Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-32218-3	journal	September 2018
Specific modification at the C-terminal lysine residue of the green fluorescent protein variant, GFPuv, expressed in Escherichia coli Nakatani, Takahiro; Yasui, Norihisa; Tamura, Issei Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-41309-8	journal	March 2019
Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation Morris, R. H.; Dye, E. R.; Axford, D. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-48612-4	journal	August 2019
Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3′-sulfo-lactose and 2′-fucosyllactose Bum-Erdene, Khuchtumur; Leffler, Hakon; Nilsson, Ulf J. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20289	journal	February 2016
Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. Lasica, Anna M.; Goulas, Theodoros; Mizgalska, Danuta Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37708	journal	November 2016
Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation Qin, Xiangjing; Hao, Zhitai; Tian, Qingnan Journal of Biological Chemistry, Vol. 289, Issue 29 https://doi.org/10.1074/jbc.m114.557249	journal	June 2014
Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope Yang, Xinbo; Gao, Mingming; Chen, Guobing Journal of Biological Chemistry, Vol. 290, Issue 48 https://doi.org/10.1074/jbc.m115.691311	journal	October 2015
AMP-activated protein kinase selectively inhibited by the type II inhibitor SBI-0206965 Dite, Toby A.; Langendorf, Christopher G.; Hoque, Ashfaqul Journal of Biological Chemistry, Vol. 293, Issue 23 https://doi.org/10.1074/jbc.ra118.003547	journal	June 2018
Beating tissue factor at its own game: Design and properties of a soluble tissue factor–independent coagulation factor VIIa Sorensen, Anders B.; Tuneew, Inga; Svensson, L. Anders Journal of Biological Chemistry, Vol. 295, Issue 2 https://doi.org/10.1074/jbc.ra119.009183	journal	January 2020
Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture Varlakhanova, Natalia V.; Alvarez, Frances J. D.; Brady, Tyler M. The Journal of Cell Biology, Vol. 217, Issue 10 https://doi.org/10.1083/jcb.201712021	journal	August 2018
Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis Huang, Jingjing; Niazi, Adnan Khan; Young, David Journal of Experimental Botany, Vol. 69, Issue 14 https://doi.org/10.1093/jxb/erx396	journal	November 2017
The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA Cuypers, Maxime G.; Robertson, Rosanna M.; Knipling, Leslie Nucleic Acids Research, Vol. 46, Issue 10 https://doi.org/10.1093/nar/gky292	journal	April 2018
Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1 Nomura, Yuichiro; Montemayor, Eric J.; Virta, Johanna M. Nucleic Acids Research, Vol. 48, Issue 3 https://doi.org/10.1093/nar/gkz1177	journal	December 2019
Structural variability of EspG chaperones from mycobacterial ESX-1, ESX-3 and ESX-5 type VII secretion systems Tuukkanen, Anne T.; Freire, Diana; Chan, Sum bioRxiv https://doi.org/10.1101/250803	posted_content	October 2018
MMOD-induced structural changes of hydroxylase in soluble methane monooxygenase Kim, Hanseong; An, Sojin; Park, Yeo Reum bioRxiv https://doi.org/10.1101/331512	posted_content	May 2018
Structural basis for σ ₁ receptor ligand recognition Schmidt, Hayden R.; Betz, Robin M.; Dror, Ron O. Nature Structural & Molecular Biology https://doi.org/10.1101/333765	journal	June 2018
The first crystal structure of manganese superoxide dismutase from the genus Staphylococcus Retnoningrum, Debbie S.; Yoshida, Hiromi; Arumsari, Sekar Acta Crystallographica Section F Structural Biology Communications, Vol. 74, Issue 3 https://doi.org/10.1107/s2053230x18001036	journal	February 2018
Crystal structure of the type VI immunity protein Tdi1 (Atu4351) from Agrobacterium tumefaciens Shi, Lingling; Gao, Zengqiang; Zhang, Tianyi Acta Crystallographica Section F Structural Biology Communications, Vol. 75, Issue 3 https://doi.org/10.1107/s2053230x19000815	journal	February 2019
Crystal structure of the leucine-rich repeat ectodomain of the plant immune receptor kinase SOBIR1 Hohmann, Ulrich; Hothorn, Michael Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 5 https://doi.org/10.1107/s2059798319005291	journal	April 2019
Comparison of automated crystallographic model-building pipelines Alharbi, Emad; Bond, Paul S.; Calinescu, Radu Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 12 https://doi.org/10.1107/s2059798319014918	journal	November 2019
Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II Boone, Christopher D.; Rasi, Valerio; Tu, Chingkuang FEBS Journal, Vol. 282, Issue 8 https://doi.org/10.1111/febs.13232	journal	March 2015
A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen Impagliazzo, A.; Milder, F.; Kuipers, H. Science, Vol. 349, Issue 6254 https://doi.org/10.1126/science.aac7263	journal	August 2015
Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis Banjara, Suresh; Caria, Sofia; Dixon, Linda K. Journal of Virology, Vol. 91, Issue 6 https://doi.org/10.1128/jvi.02228-16	journal	January 2017
High-resolution structure of a type IV pilin from the metal-reducing bacterium Shewanella oneidensis Gorgel, Manuela; Ulstrup, Jakob Jensen; Bøggild, Andreas BMC Structural Biology, Vol. 15, Issue 1 https://doi.org/10.1186/s12900-015-0031-7	journal	February 2015
Crystal Structure of the Stress-Inducible Human Heat Shock Protein 70 Substrate-Binding Domain in Complex with Peptide Substrate Zhang, Pingfeng; Leu, Julia I-Ju; Murphy, Maureen E. PLoS ONE, Vol. 9, Issue 7 https://doi.org/10.1371/journal.pone.0103518	journal	July 2014
Crystal structure and enzymatic properties of chalcone isomerase from the Antarctic vascular plant Deschampsia antarctica Desv. Park, Sun-Ha; Lee, Chang Woo; Cho, Sung Mi PLOS ONE, Vol. 13, Issue 2 https://doi.org/10.1371/journal.pone.0192415	journal	February 2018
Molecular basis for functional diversity among microbial Nep1-like proteins Lenarčič, Tea; Pirc, Katja; Hodnik, Vesna PLOS Pathogens, Vol. 15, Issue 9 https://doi.org/10.1371/journal.ppat.1007951	journal	September 2019
High‐resolution archaellum structure reveals a conserved metal‐binding site Meshcheryakov, Vladimir A.; Shibata, Satoshi; Schreiber, Makoto Tokoro EMBO reports, Vol. 20, Issue 5 https://doi.org/10.15252/embr.201846340	journal	March 2019
A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones Siebert, Matthias; Böhme, Mathias A.; Driller, Jan H. Charité - Universitätsmedizin Berlin https://doi.org/10.17169/refubium-20593	text	January 2015
Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Goulas, Theodoros; Mizgalska, Danuta; Garcia-Ferrer, Irene Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.58789	text	January 2015
Co-crystal structure of a T-box riboswitch stem I domain in complex with its cognate tRNA Zhang, J.; Ferre-D'Amare, A. R. Protein Data Bank, Rutgers University https://doi.org/10.2210/pdb4lck/pdb	text	January 2013
Conformational Flexibility of Proteins Involved in Ribosome Biogenesis: Investigations via Small Angle X-ray Scattering (SAXS) Siliqi, Dritan; Foadi, James; Mazzorana, Marco Crystals, Vol. 8, Issue 3 https://doi.org/10.3390/cryst8030109	journal	February 2018
Molecular basis of AKAP79 regulation by calmodulin Patel, Neha; Stengel, Florian; Aebersold, Ruedi ETH Zurich https://doi.org/10.3929/ethz-b-000217114	text	January 2017
Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC Müller, Andreas U.; Leibundgut, Marc; Ban, Nenad ETH Zurich https://doi.org/10.3929/ethz-b-000371730	text	January 2019
Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family Tree-Biochemical and Structural Studies Lorenzen, Jan; Driller, Ronja; Waldow, Ayk ChemCatChem, Vol. 10, Issue 2 https://doi.org/10.1002/cctc.201701350	journal	December 2017
Insights revealed by the co‐crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer protein Ypd1 and the receiver domain of its downstream response regulator Ssk1 Branscum, Katie M.; Menon, Smita K.; Foster, Clay A. Protein Science, Vol. 28, Issue 12 https://doi.org/10.1002/pro.3755	journal	October 2019
Structural determinants increasing flexibility confer cold adaptation in psychrophilic phosphoglycerate kinase Mandelman, David; Ballut, Lionel; Wolff, David A. Extremophiles, Vol. 23, Issue 5 https://doi.org/10.1007/s00792-019-01102-x	journal	May 2019
Novel inter-domain Ca2+-binding site in the gelsolin superfamily protein fragmin Takeda, Shuichi; Fujiwara, Ikuko; Sugimoto, Yasunobu Journal of Muscle Research and Cell Motility, Vol. 41, Issue 1 https://doi.org/10.1007/s10974-019-09571-5	journal	December 2019
The L(M196)H mutation in Rhodobacter sphaeroides reaction center results in new electrostatic interactions Fufina, Tatiana Y.; Vasilieva, Lyudmila G.; Gabdulkhakov, Azat G. Photosynthesis Research, Vol. 125, Issue 1-2 https://doi.org/10.1007/s11120-014-0062-0	journal	December 2014
Structural insight into magnetochrome-mediated magnetite biomineralization Siponen, Marina I.; Legrand, Pierre; Widdrat, Marc Nature, Vol. 502, Issue 7473 https://doi.org/10.1038/nature12573	journal	October 2013
Activation and allosteric modulation of a muscarinic acetylcholine receptor Kruse, Andrew C.; Ring, Aaron M.; Manglik, Aashish Nature, Vol. 504, Issue 7478 https://doi.org/10.1038/nature12735	journal	November 2013
Structural basis of PAM-dependent target DNA recognition by the Cas9 endonuclease Anders, Carolin; Niewoehner, Ole; Duerst, Alessia Nature, Vol. 513, Issue 7519 https://doi.org/10.1038/nature13579	journal	July 2014
Structure of the human 80S ribosome Khatter, Heena; Myasnikov, Alexander G.; Natchiar, S. Kundhavai Nature, Vol. 520, Issue 7549 https://doi.org/10.1038/nature14427	journal	April 2015
Mechanism of chromatin remodelling revealed by the Snf2-nucleosome structure Liu, Xiaoyu; Li, Meijing; Xia, Xian Nature, Vol. 544, Issue 7651 https://doi.org/10.1038/nature22036	journal	April 2017
Structure of the exportin Xpo4 in complex with RanGTP and the hypusine-containing translation factor eIF5A Aksu, Metin; Trakhanov, Sergei; Görlich, Dirk Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11952	journal	June 2016
Structure of the NS2B-NS3 protease from Zika virus after self-cleavage Phoo, Wint Wint; Li, Yan; Zhang, Zhenzhen Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13410	journal	November 2016
Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain Gumiero, Andrea; Conz, Charlotte; Gesé, Genís Valentín Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13563	journal	November 2016
Crystal structures of the NO sensor NsrR reveal how its iron-sulfur cluster modulates DNA binding Volbeda, Anne; Dodd, Erin L.; Darnault, Claudine Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15052	journal	April 2017
Initiation of T cell signaling by CD45 segregation at 'close contacts' Chang, Veronica T.; Fernandes, Ricardo A.; Ganzinger, Kristina A. Nature Immunology, Vol. 17, Issue 5 https://doi.org/10.1038/ni.3392	journal	March 2016
Improved low-resolution crystallographic refinement with Phenix and Rosetta DiMaio, Frank; Echols, Nathaniel; Headd, Jeffrey J. Nature Methods, Vol. 10, Issue 11 https://doi.org/10.1038/nmeth.2648	journal	September 2013
Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED de la Cruz, M. Jason; Hattne, Johan; Shi, Dan Nature Methods, Vol. 14, Issue 4 https://doi.org/10.1038/nmeth.4178	journal	February 2017
Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide Chan, Kok Fei; Gully, Benjamin S.; Gras, Stephanie Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03321-w	journal	March 2018
The evolution of multiple active site configurations in a designed enzyme Hong, Nan-Sook; Petrović, Dušan; Lee, Richmond Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06305-y	journal	September 2018
Human adipose glycerol flux is regulated by a pH gate in AQP10 Gotfryd, Kamil; Mósca, Andreia Filipa; Missel, Julie Winkel Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07176-z	journal	November 2018
Anti-LRP5/6 VHHs promote differentiation of Wnt-hypersensitive intestinal stem cells Fenderico, Nicola; van Scherpenzeel, Revina C.; Goldflam, Michael Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08172-z	journal	January 2019
The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry Marshall, Stephen A.; Payne, Karl A. P.; Fisher, Karl Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10220-1	journal	May 2019
Local-to-global signal transduction at the core of a Mn2+ sensing riboswitch Suddala, Krishna C.; Price, Ian R.; Dandpat, Shiba S. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12230-5	journal	September 2019
An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism Thompson, Mitchell G.; Blake-Hedges, Jacquelyn M.; Pereira, Jose Henrique Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16815-3	journal	June 2020
Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Qiu, Xiaodi; Lei, Yingfeng; Yang, Pan Nature Microbiology, Vol. 3, Issue 3 https://doi.org/10.1038/s41564-017-0099-x	journal	January 2018
Structural basis for influenza virus NS1 protein block of mRNA nuclear export Zhang, Ke; Xie, Yihu; Muñoz-Moreno, Raquel Nature Microbiology, Vol. 4, Issue 10 https://doi.org/10.1038/s41564-019-0482-x	journal	July 2019
Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition Shojima, Tomoki; Hou, Feng; Takahashi, Yusuke Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-19898-7	journal	January 2018
Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor Guevara, Tibisay; Rodríguez-Banqueri, Arturo; Lasica, Anna M. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-41354-3	journal	March 2019
Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation Coureux, Pierre-Damien; Lazennec-Schurdevin, Christine; Bourcier, Sophie Communications Biology, Vol. 3, Issue 1 https://doi.org/10.1038/s42003-020-0780-0	journal	February 2020
Structural analysis of fungus-derived FAD glucose dehydrogenase Yoshida, Hiromi; Sakai, Genki; Mori, Kazushige Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13498	journal	August 2015
Ringhalexin from Hemachatus haemachatus: A novel inhibitor of extrinsic tenase complex Barnwal, Bhaskar; Jobichen, Chacko; Girish, Vallerinteavide Mavelli Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep25935	journal	May 2016
Structural and biochemical characterization of the cell fate determining nucleotidyltransferase fold protein MAB21L1 de Oliveira Mann, Carina C.; Kiefersauer, Reiner; Witte, Gregor Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep27498	journal	June 2016
Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling Baker, M. L.; Hryc, C. F.; Zhang, Q. Proceedings of the National Academy of Sciences, Vol. 110, Issue 30 https://doi.org/10.1073/pnas.1309947110	journal	July 2013
Protein crystal structure obtained at 2.9 A resolution from injecting bacterial cells into an X-ray free-electron laser beam Sawaya, M. R.; Cascio, D.; Gingery, M. Proceedings of the National Academy of Sciences, Vol. 111, Issue 35 https://doi.org/10.1073/pnas.1413456111	journal	August 2014
Structural determinants driving homoserine lactone ligand selection in the Pseudomonas aeruginosa LasR quorum-sensing receptor McCready, Amelia R.; Paczkowski, Jon E.; Henke, Brad R. Proceedings of the National Academy of Sciences, Vol. 116, Issue 1 https://doi.org/10.1073/pnas.1817239116	journal	December 2018
Crystal structure of cis -aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis Chen, Fangfang; Lukat, Peer; Iqbal, Azeem Ahmed Proceedings of the National Academy of Sciences, Vol. 116, Issue 41 https://doi.org/10.1073/pnas.1908770116	journal	September 2019
REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ Shigella IpaB ligands, and its activity is regulated by the RanGTP/GDP switch Wang, Xin; Pernicone, Nomi; Pertz, Limor Journal of Biological Chemistry, Vol. 294, Issue 43 https://doi.org/10.1074/jbc.ra119.010123	journal	September 2019
Structures of human mitofusin 1 provide insight into mitochondrial tethering Qi, Yuanbo; Yan, Liming; Yu, Caiting The Journal of Cell Biology, Vol. 215, Issue 5 https://doi.org/10.1083/jcb.201609019	journal	December 2016
Crystal structure of human cytoplasmic tRNAHis-specific 5′-monomethylphosphate capping enzyme Liu, Yining; Martinez, Anna; Yamashita, Seisuke Nucleic Acids Research, Vol. 48, Issue 3 https://doi.org/10.1093/nar/gkz1216	journal	January 2020
Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor Tang, Su; Hicks, Nathan D.; Cheng, Yu-Shan Nucleic Acids Research, Vol. 47, Issue 18 https://doi.org/10.1093/nar/gkz724	journal	August 2019
Structure and function of the Toscana virus cap-snatching endonuclease Jones, Rhian; Lessoued, Sana; Meier, Kristina Nucleic Acids Research, Vol. 47, Issue 20 https://doi.org/10.1093/nar/gkz838	journal	October 2019
Common antigenic motif recognized by human VH5-51/VL4-1 tau antibodies with distinct functionalities Apetri, Adrian; Crespo, Rosa; Juraszek, Jarek Acta Neuropathologica Communications https://doi.org/10.1101/287003	posted_content	January 2018
Eradication of ENO1 -deleted Glioblastoma through Collateral Lethality Lin, Yu-Hsi; Satani, Nikunj; Hammoudi, Naima BioRxiv https://doi.org/10.1101/331538	posted_content	January 2018
Collection of continuous rotation MicroED Data from Ion Beam Milled Crystals of Any Size Martynowycz, Michael W.; Zhao, Wei; Hattne, Johan Structure https://doi.org/10.1101/425611	journal	September 2018
The Dps4 from Nostoc punctiforme ATCC 29133 is a member of His-type FOC containing Dps protein class that can be broadly found among cyanobacteria Howe, Christoph; Moparthi, Vamsi K.; Ho, Felix M. PLOS ONE https://doi.org/10.1101/656892	posted_content	May 2019
The structure of hookworm platelet inhibitor (HPI), a CAP superfamily member from Ancylostoma caninum Ma, Dongying; Francischetti, Ivo M. B.; Ribeiro, Jose M. C. Acta Crystallographica Section F Structural Biology Communications, Vol. 71, Issue 6 https://doi.org/10.1107/s2053230x1500271x	journal	May 2015
Microcrystal delivery by pulsed liquid droplet for serial femtosecond crystallography Mafuné, Fumitaka; Miyajima, Ken; Tono, Kensuke Acta Crystallographica Section D Structural Biology, Vol. 72, Issue 4 https://doi.org/10.1107/s2059798316001480	journal	March 2016
MR-REX : molecular replacement by cooperative conformational search and occupancy optimization on low-accuracy protein models Virtanen, Jouko J.; Zhang, Yang Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 7 https://doi.org/10.1107/s2059798318005612	journal	June 2018
Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate Jiang, Wangshu; Askarieh, Glareh; Shkumatov, Alexander International Union of Crystallography (IUCr) https://doi.org/10.1107/s2059798319007253/dw5199sup1.pdf	text	January 2019
Crystal structures of rhamnosyltransferase UGT 89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP ‐β‐ l ‐rhamnose and rhamnosylation mechanism Zong, Guangning; Fei, Shuang; Liu, Xiao The Plant Journal https://doi.org/10.1111/tpj.14321	journal	April 2019
MMOD-induced structural changes of hydroxylase in soluble methane monooxygenase Kim, Hanseong; An, Sojin; Park, Yeo Reum Science Advances, Vol. 5, Issue 10 https://doi.org/10.1126/sciadv.aax0059	journal	October 2019
Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli Jackson, R. N.; Golden, S. M.; van Erp, P. B. G. Science, Vol. 345, Issue 6203 https://doi.org/10.1126/science.1256328	journal	August 2014
Atomic structures of low-complexity protein segments reveal kinked β sheets that assemble networks Hughes, Michael P.; Sawaya, Michael R.; Boyer, David R. Science, Vol. 359, Issue 6376 https://doi.org/10.1126/science.aan6398	journal	February 2018
Structures of the CRISPR genome integration complex Wright, Addison V.; Liu, Jun-Jie; Knott, Gavin J. Science, Vol. 357, Issue 6356 https://doi.org/10.1126/science.aao0679	journal	July 2017
Crystal structure of the human lysosomal mTORC1 scaffold complex and its impact on signaling de Araujo, Mariana E. G.; Naschberger, Andreas; Fürnrohr, Barbara G. Science, Vol. 358, Issue 6361 https://doi.org/10.1126/science.aao1583	journal	September 2017
Mechanism of β ₂ AR regulation by an intracellular positive allosteric modulator Liu, Xiangyu; Masoudi, Ali; Kahsai, Alem W. Science, Vol. 364, Issue 6447 https://doi.org/10.1126/science.aaw8981	journal	June 2019
Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the β barrel in fatty acid binding proteins Laulumaa, Saara; Nieminen, Tuomo; Raasakka, Arne BMC Structural Biology, Vol. 18, Issue 1 https://doi.org/10.1186/s12900-018-0087-2	journal	June 2018
Molecular basis for CesT recognition of type III secretion effectors in enteropathogenic Escherichia coli Little, Dustin J.; Coombes, Brian K. PLOS Pathogens, Vol. 14, Issue 8 https://doi.org/10.1371/journal.ppat.1007224	journal	August 2018
Serial femtosecond crystallography of soluble proteins in lipidic cubic phase Fromme, Raimund; Ishchenko, Andrii; Metz, Markus Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2015-04280	text	January 2015
Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1–Ccz1 Kiontke, Stephan; Langemeyer, Lars; Kuhlee, Anne Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2017-13532	text	January 2017
Molecular mechanisms of Charcot-Marie-Tooth neuropathy linked to mutations in human myelin protein P2 Ruskamo, Salla; Nieminen, Tuomo; Kristiansen, Cecilie K. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2017-14087	text	January 2017
Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites Horova, Vladimira; Lyoo, Heyrhyoung; Różycki, Bartosz Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-03597	text	January 2019
Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila Cheng, Shouqiang; Ashley, James; Kurleto, Justyna D. eLife, Vol. 8 https://doi.org/10.7554/elife.41028	journal	January 2019
Crystal structure of a NIR‐Emitting DNA‐Stabilized Ag ₁₆ Nanocluster Cerretani, Cecilia; Kanazawa, Hiroki; Vosch, Tom Angewandte Chemie International Edition, Vol. 58, Issue 48 https://doi.org/10.1002/anie.201906766	journal	November 2019
Substitution of an Internal Disulfide Bridge with a Diselenide Enhances both Foldability and Stability of Human Insulin Weil‐Ktorza, Orit; Rege, Nischay; Lansky, Shifra Chemistry – A European Journal, Vol. 25, Issue 36 https://doi.org/10.1002/chem.201900892	journal	May 2019
Two new high-resolution crystal structures of carboxysome pentamer proteins reveal high structural conservation of CcmL orthologs among distantly related cyanobacterial species Sutter, Markus; Wilson, Steven C.; Deutsch, Samuel Photosynthesis Research, Vol. 118, Issue 1-2 https://doi.org/10.1007/s11120-013-9909-z	journal	August 2013
A metallo-DNA nanowire with uninterrupted one-dimensional silver array Kondo, Jiro; Tada, Yoshinari; Dairaku, Takenori Nature Chemistry, Vol. 9, Issue 10 https://doi.org/10.1038/nchem.2808	journal	July 2017
Structural basis of HypK regulating N-terminal acetylation by the NatA complex Weyer, Felix Alexander; Gumiero, Andrea; Lapouge, Karine Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15726	journal	June 2017
Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein Willkomm, Sarah; Oellig, Christine A.; Zander, Adrian Nature Microbiology, Vol. 2, Issue 6 https://doi.org/10.1038/nmicrobiol.2017.35	journal	March 2017
X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine Penmatsa, Aravind; Wang, Kevin H.; Gouaux, Eric Nature Structural & Molecular Biology, Vol. 22, Issue 6 https://doi.org/10.1038/nsmb.3029	journal	May 2015
Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation Afroz, Tariq; Hock, Eva-Maria; Ernst, Patrick Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00062-0	journal	June 2017
Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression Lama, Lodoe; Adura, Carolina; Xie, Wei Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08620-4	journal	May 2019
Crystal structure of Drosophila Piwi Yamaguchi, Sonomi; Oe, Akira; Nishida, Kazumichi M. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14687-1	journal	February 2020
SETD3 is an actin histidine methyltransferase that prevents primary dystocia Wilkinson, Alex W.; Diep, Jonathan; Dai, Shaobo Nature, Vol. 565, Issue 7739 https://doi.org/10.1038/s41586-018-0821-8	journal	December 2018
Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme Yang, Gloria; Anderson, Dave W.; Baier, Florian Nature Chemical Biology, Vol. 15, Issue 11 https://doi.org/10.1038/s41589-019-0386-3	journal	October 2019
Crystal structure of human PLD1 provides insight into activation by PI(4,5)P2 and RhoA Bowling, Forrest Z.; Salazar, Christian M.; Bell, Justin A. Nature Chemical Biology, Vol. 16, Issue 4 https://doi.org/10.1038/s41589-020-0499-8	journal	March 2020
Architecture of Pol II(G) and molecular mechanism of transcription regulation by Gdown1 Jishage, Miki; Yu, Xiaodi; Shi, Yi Nature Structural & Molecular Biology, Vol. 25, Issue 9 https://doi.org/10.1038/s41594-018-0118-5	journal	September 2018
Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule Li, Wenfei; Ward, Fred R.; McClure, Kim F. Nature Structural & Molecular Biology, Vol. 26, Issue 6 https://doi.org/10.1038/s41594-019-0236-8	journal	June 2019
Capture and characterization of a reactive haem–carbenoid complex in an artificial metalloenzyme Hayashi, Takahiro; Tinzl, Matthias; Mori, Takahiro Nature Catalysis, Vol. 1, Issue 8 https://doi.org/10.1038/s41929-018-0105-6	journal	July 2018
Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Little, Rory; Paiva, Fernanda C. R.; Jenkins, Robert Nature Catalysis, Vol. 2, Issue 11 https://doi.org/10.1038/s41929-019-0351-2	journal	October 2019
Flagella-mediated secretion of a novel Vibrio cholerae cytotoxin affecting both vertebrate and invertebrate hosts Dongre, Mitesh; Singh, Bhupender; Aung, Kyaw Min Communications Biology, Vol. 1, Issue 1 https://doi.org/10.1038/s42003-018-0065-z	journal	June 2018
Mechanistic insights into the recognition of 5-methylcytosine oxidation derivatives by the SUVH5 SRA domain Rajakumara, Eerappa; Nakarakanti, Naveen Kumar; Nivya, M. Angel Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20161	journal	February 2016
Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin Syn Ftn Bradley, Justin M.; Pullin, Jacob; Moore, Geoffrey R. Dalton Transactions, Vol. 49, Issue 5 https://doi.org/10.1039/c9dt03570b	journal	January 2020
Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases Robb, Craig S.; Reisky, Lukas; Bornscheuer, Uwe T. Biochemical Journal, Vol. 475, Issue 23 https://doi.org/10.1042/bcj20180762	journal	December 2018
Structure and nucleotide-induced conformational dynamics of the Chlorobium tepidum Roco protein Deyaert, Egon; Leemans, Margaux; Singh, Ranjan Kumar Biochemical Journal, Vol. 476, Issue 1 https://doi.org/10.1042/bcj20180803	journal	January 2019
Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation Georgescu, Roxana; Yuan, Zuanning; Bai, Lin Proceedings of the National Academy of Sciences, Vol. 114, Issue 5 https://doi.org/10.1073/pnas.1620500114	journal	January 2017
Accurate model annotation of a near-atomic resolution cryo-EM map Hryc, Corey F.; Chen, Dong-Hua; Afonine, Pavel V. Proceedings of the National Academy of Sciences, Vol. 114, Issue 12 https://doi.org/10.1073/pnas.1621152114	journal	March 2017
Capturing LTA ₄ hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB ₄ synthesis Stsiapanava, Alena; Samuelsson, Bengt; Haeggström, Jesper Z. Proceedings of the National Academy of Sciences, Vol. 114, Issue 36 https://doi.org/10.1073/pnas.1710850114	journal	August 2017
MicroED structures of HIV-1 Gag CTD-SP1 reveal binding interactions with the maturation inhibitor bevirimat Purdy, Michael D.; Shi, Dan; Chrustowicz, Jakub Proceedings of the National Academy of Sciences, Vol. 115, Issue 52 https://doi.org/10.1073/pnas.1806806115	journal	December 2018
Solving the structure of Lgl2, a difficult blind test of unsupervised structure determination Ufimtsev, Ivan S.; Almagor, Lior; Weis, William I. Proceedings of the National Academy of Sciences, Vol. 116, Issue 22 https://doi.org/10.1073/pnas.1821513116	journal	May 2019
Insights into the mechanism and regulation of the CbbQO-type Rubisco activase, a MoxR AAA+ ATPase Tsai, Yi-Chin Candace; Ye, Fuzhou; Liew, Lynette Proceedings of the National Academy of Sciences, Vol. 117, Issue 1 https://doi.org/10.1073/pnas.1911123117	journal	December 2019
Structural analyses of Arabidopsis thaliana legumain γ reveal differential recognition and processing of proteolysis and ligation substrates Zauner, Florian B.; Elsässer, Brigitta; Dall, Elfriede Journal of Biological Chemistry, Vol. 293, Issue 23 https://doi.org/10.1074/jbc.m117.817031	journal	June 2018
Crystal structure of the WFIKKN2 follistatin domain reveals insight into how it inhibits growth differentiation factor 8 (GDF8) and GDF11 McCoy, Jason C.; Walker, Ryan G.; Murray, Nathan H. Journal of Biological Chemistry, Vol. 294, Issue 16 https://doi.org/10.1074/jbc.ra118.005831	journal	April 2019
Structural analysis of a Vibrio phospholipase reveals an unusual Ser–His–chloride catalytic triad Wan, Ye; Liu, Changshui; Ma, Qingjun Journal of Biological Chemistry, Vol. 294, Issue 30 https://doi.org/10.1074/jbc.ra119.008280	journal	July 2019
Bisubstrate analogues as structural tools to investigate m ⁶ A methyltransferase active sites Oerum, Stephanie; Catala, Marjorie; Atdjian, Colette RNA Biology, Vol. 16, Issue 6 https://doi.org/10.1080/15476286.2019.1589360	journal	March 2019
Dynamics of human protein kinases linked to drug selectivity Pitsawong, Warintra; Buosi, Vanessa; Otten, Renee bioRxiv https://doi.org/10.1101/286310	posted_content	March 2018
Structural and functional characterisation of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica Kirchweger, Peter; Weiler, Sigrid; Egerer-Sieber, Claudia Molecular Microbiology https://doi.org/10.1101/641415	posted_content	January 2019
New model-fitting and model-completion programs for automated iterative nucleic acid refinement Yamashita, Keitaro; Zhou, Yong; Tanaka, Isao Acta Crystallographica Section D Biological Crystallography, Vol. 69, Issue 6 https://doi.org/10.1107/s0907444913007191	journal	May 2013
Structure of γ-conglutin: insight into the quaternary structure of 7S basic globulins from legumes Czubinski, Jaroslaw; Barciszewski, Jakub; Gilski, Miroslaw Acta Crystallographica Section D Biological Crystallography, Vol. 71, Issue 2 https://doi.org/10.1107/s1399004714025073	journal	January 2015
IPCAS : a direct-method-based pipeline from phasing to model building and refinement for macromolecular structure determination Ding, Wei; Zhang, Tao; He, Yao Journal of Applied Crystallography, Vol. 53, Issue 1 https://doi.org/10.1107/s1600576719015115	journal	February 2020
Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer Pichlo, Christian; Toelzer, Christine; Chojnacki, Konrad Acta Crystallographica Section F Structural Biology Communications, Vol. 74, Issue 5 https://doi.org/10.1107/s2053230x18005253	journal	April 2018
Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways Hermann, Johannes; Nowotny, Phillip; Schrader, Tobias E. Acta Crystallographica Section F Structural Biology Communications, Vol. 74, Issue 12 https://doi.org/10.1107/s2053230x18015273	journal	November 2018
The Rel stringent factor from Thermus thermophilus : crystallization and X-ray analysis Van Nerom, Katleen; Tamman, Hedvig; Takada, Hiraku Acta Crystallographica Section F Structural Biology Communications, Vol. 75, Issue 8 https://doi.org/10.1107/s2053230x19010628	journal	August 2019
Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site Chen, Hongming; Tucker, Julie; Wang, Xiaotao Acta Crystallographica Section D Structural Biology, Vol. 72, Issue 5 https://doi.org/10.1107/s2059798316004502	journal	April 2016
Structure and function of the type III pullulan hydrolase from Thermococcus kodakarensis Guo, Jingxu; Coker, Alun R.; Wood, Steve P. Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 4 https://doi.org/10.1107/s2059798318001754	journal	April 2018
Identifying dynamic, partially occupied residues using anomalous scattering Rocchio, Serena; Duman, Ramona; El Omari, Kamel Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 12 https://doi.org/10.1107/s2059798319014475	journal	November 2019
Solving a new R2lox protein structure by microcrystal electron diffraction Xu, Hongyi; Lebrette, Hugo; Clabbers, Max T. B. Science Advances, Vol. 5, Issue 8 https://doi.org/10.1126/sciadv.aax4621	journal	August 2019
Functional Profiling and Crystal Structures of Isothiocyanate Hydrolases Found in Gut-Associated and Plant-Pathogenic Bacteria van den Bosch, Tijs J. M.; Tan, Kemin; Joachimiak, Andrzej Applied and Environmental Microbiology, Vol. 84, Issue 14 https://doi.org/10.1128/aem.00478-18	journal	May 2018
The mechanism by which a distinguishing arabinofuranosidase can cope with internal di-substitutions in arabinoxylans dos Santos, Camila Ramos; de Giuseppe, Priscila Oliveira; de Souza, Flávio Henrique Moreira Biotechnology for Biofuels, Vol. 11, Issue 1 https://doi.org/10.1186/s13068-018-1212-y	journal	August 2018
High-Resolution Structure of the N-Terminal Endonuclease Domain of the Lassa Virus L Polymerase in Complex with Magnesium Ions Wallat, Gregor D.; Huang, Qinfeng; Wang, Wenjian PLoS ONE, Vol. 9, Issue 2 https://doi.org/10.1371/journal.pone.0087577	journal	February 2014
Architectural principles for Hfq/Crc-mediated regulation of gene expression. Pei, Xue Yuan; Dendooven, Tom; Sonnleitner, Elisabeth Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.39771	text	January 2019
Megahertz serial crystallography Wiedorn, Max O.; Oberthür, Dominik; Bean, Richard Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-03705	text	January 2018
Ultracompact 3D microfluidics for time-resolved structural biology Knoska, Juraj; Adriano, Luigi; Awel, Salah Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2020-00623	text	January 2020
Structure of mouse protocadherin 15 of the stereocilia tip link in complex with LHFPL5 Ge, Jingpeng; Elferich, Johannes; Goehring, April eLife, Vol. 7 https://doi.org/10.7554/elife.38770	journal	August 2018
Crystal structure of a NIR‐Emitting DNA‐Stabilized Ag ₁₆ Nanocluster Cerretani, Cecilia; Kanazawa, Hiroki; Vosch, Tom Angewandte Chemie, Vol. 131, Issue 48 https://doi.org/10.1002/ange.201906766	journal	November 2019
Structure‐guided design combined with evolutionary diversity led to the discovery of the xylose‐releasing exo‐xylanase activity in the glycoside hydrolase family 43 Zanphorlin, Letícia Maria; Morais, Mariana Abrahão Bueno; Diogo, José Alberto Biotechnology and Bioengineering https://doi.org/10.1002/bit.26899	journal	February 2019
Structure‐Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases Małecki, Piotr H.; Rüger, Nicole; Roatsch, Martin ChemMedChem, Vol. 14, Issue 21 https://doi.org/10.1002/cmdc.201900441	journal	October 2019
Core Mediator structure at 3.4 Å extends model of transcription initiation complex Nozawa, Kayo; Schneider, Thomas R.; Cramer, Patrick Nature, Vol. 545, Issue 7653 https://doi.org/10.1038/nature22328	journal	May 2017
Channel opening and gating mechanism in AMPA-subtype glutamate receptors Twomey, Edward C.; Yelshanskaya, Maria V.; Grassucci, Robert A. Nature, Vol. 549, Issue 7670 https://doi.org/10.1038/nature23479	journal	July 2017
Small-molecule WNK inhibition regulates cardiovascular and renal function Yamada, Ken; Park, Hyi-Man; Rigel, Dean F. Nature Chemical Biology, Vol. 12, Issue 11 https://doi.org/10.1038/nchembio.2168	journal	September 2016
Structural basis of AMPK regulation by small molecule activators Xiao, Bing; Sanders, Matthew J.; Carmena, David Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms4017	journal	December 2013
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers Hattne, Johan; Echols, Nathaniel; Tran, Rosalie Nature Methods, Vol. 11, Issue 5 https://doi.org/10.1038/nmeth.2887	journal	March 2014
Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates Czekster, Clarissa M.; Ludewig, Hannes; McMahon, Stephen A. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00862-4	journal	October 2017
Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase Ramírez, Ana S.; Boilevin, Jérémy; Mehdipour, Ahmad Reza Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-02880-2	journal	January 2018
Structure of the thermo-sensitive TRP channel TRP1 from the alga Chlamydomonas reinhardtii McGoldrick, Luke L.; Singh, Appu K.; Demirkhanyan, Lusine Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12121-9	journal	September 2019
Structures of the intermediates of Kok’s photosynthetic water oxidation clock Kern, Jan; Chatterjee, Ruchira; Young, Iris D. Nature, Vol. 563, Issue 7731 https://doi.org/10.1038/s41586-018-0681-2	journal	November 2018
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors Jin, Zhenming; Du, Xiaoyu; Xu, Yechun Nature, Vol. 582, Issue 7811 https://doi.org/10.1038/s41586-020-2223-y	journal	April 2020
Structure and functional reselection of the Mango-III fluorogenic RNA aptamer Trachman, Robert J.; Autour, Alexis; Jeng, Sunny C. Y. Nature Chemical Biology, Vol. 15, Issue 5 https://doi.org/10.1038/s41589-019-0267-9	journal	April 2019
Biochemical and structural characterization of tomato polyphenol oxidases provide novel insights into their substrate specificity Kampatsikas, Ioannis; Bijelic, Aleksandar; Rompel, Annette Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-39687-0	journal	March 2019
Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation Zhang, Xiaoying; Shen, Qingya; Lei, Zhen Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-45704-z	journal	June 2019
Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families Garcia, Mario D.; Nouwens, Amanda; Lonhienne, Thierry G. Proceedings of the National Academy of Sciences, Vol. 114, Issue 7 https://doi.org/10.1073/pnas.1616142114	journal	January 2017
Reaction of O ₂ with a diiron protein generates a mixed-valent Fe ²⁺ /Fe ³⁺ center and peroxide Bradley, Justin M.; Svistunenko, Dimitri A.; Pullin, Jacob Proceedings of the National Academy of Sciences, Vol. 116, Issue 6 https://doi.org/10.1073/pnas.1809913116	journal	January 2019
Substrate N2 atom recognition mechanism in pierisin family DNA-targeting, guanine-specific ADP-ribosyltransferase ScARP Yoshida, Toru; Tsuge, Hideaki Journal of Biological Chemistry, Vol. 293, Issue 36 https://doi.org/10.1074/jbc.ac118.004412	journal	September 2018
The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis Ho, Ngoc Anh Thu; Dawes, Stephanie S.; Crowe, Adam M. Journal of Biological Chemistry, Vol. 291, Issue 14 https://doi.org/10.1074/jbc.m115.707760	journal	April 2016
Structure–function analyses of a stereotypic rheumatoid factor unravel the structural basis for germline-encoded antibody autoreactivity Shiroishi, Mitsunori; Ito, Yuji; Shimokawa, Kenta Journal of Biological Chemistry, Vol. 293, Issue 18 https://doi.org/10.1074/jbc.m117.814475	journal	March 2018
Crystal structure of the TreS:Pep2 complex, initiating α-glucan synthesis in the GlgE pathway of mycobacteria Kermani, Ali A.; Roy, Rana; Gopalasingam, Chai Journal of Biological Chemistry, Vol. 294, Issue 18 https://doi.org/10.1074/jbc.ra118.004297	journal	May 2019
Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity Zhang, Xiang; Zhang, Shengnan; Zhang, Li Journal of Biological Chemistry, Vol. 294, Issue 13 https://doi.org/10.1074/jbc.ra118.005980	journal	March 2019
A mutually induced conformational fit underlies Ca2+-directed interactions between calmodulin and the proximal C terminus of KCNQ4 K+ channels Archer, Crystal R.; Enslow, Benjamin T.; Taylor, Alexander B. Journal of Biological Chemistry, Vol. 294, Issue 15 https://doi.org/10.1074/jbc.ra118.006857	journal	April 2019
Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome Pellegrino, Simone; Meyer, Mélanie; Könst, Zef A. Nucleic Acids Research, Vol. 47, Issue 6 https://doi.org/10.1093/nar/gkz053	journal	February 2019
Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine Yang, Jie; Horton, John R.; Li, Jia Nucleic Acids Research, Vol. 47, Issue 16 https://doi.org/10.1093/nar/gkz381	journal	May 2019
A novel mutation alters the stability of PapA2 resulting in the complete abrogation of sulfolipids in clinical mycobacterial strains Panchal, Vipul N.; Jatana, Nidhi; Malik, Anchal FASEB BioAdvances https://doi.org/10.1101/487124	posted_content	January 2018
Crystal structures of the outer membrane transporter FoxA provide novel insights into TonB-mediated siderophore uptake and signalling Josts, Inokentijs; Veith, Katharina; Tidow, Henning eLife https://doi.org/10.1101/621219	posted_content	January 2019
Structural basis of transcription inhibition by the DNA mimic protein Ocr of bacteriophage T7 Ye, Fuzhou; Kotta-Loizou, Ioly; Jovanovic, Milija eLife https://doi.org/10.1101/822460	journal	October 2019
BraggNet: integrating Bragg peaks using neural networks Sullivan, Brendan; Archibald, Rick; Azadmanesh, Jahaun International Union of Crystallography (IUCr) https://doi.org/10.1107/s1600576719008665/fs5173sup1.pdf	text	January 2019
Macromolecular refinement by model morphing using non-atomic parameterizations Cowtan, Kevin; Agirre, Jon Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 2 https://doi.org/10.1107/s205979831701350x	journal	February 2018
X-ray structure of the direct electron transfer-type FAD glucose dehydrogenase catalytic subunit complexed with a hitchhiker protein Yoshida, Hiromi; Kojima, Katsuhiro; Shiota, Masaki Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 9 https://doi.org/10.1107/s2059798319010878	journal	August 2019
Mechanism of calmodulin inactivation of the calcium-selective TRP channel TRPV6 Singh, Appu K.; McGoldrick, Luke L.; Twomey, Edward C. Science Advances, Vol. 4, Issue 8 https://doi.org/10.1126/sciadv.aau6088	journal	August 2018
Structural basis for organohalide respiration Bommer, Martin; Kunze, Cindy; Fesseler, Jochen Science, Vol. 346, Issue 6208 https://doi.org/10.1126/science.1258118	journal	October 2014
Fibril structure of amyloid-β(1–42) by cryo–electron microscopy Gremer, Lothar; Schölzel, Daniel; Schenk, Carla Science, Vol. 358, Issue 6359 https://doi.org/10.1126/science.aao2825	journal	September 2017
Serial protein crystallography in an electron microscope Bücker, Robert; Hogan-Lamarre, Pascal; Mehrabi, Pedram Nature Publishing Group UK https://doi.org/10.15480/882.2722	text	January 2020
An engineered GH1 β-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials. Santos, Clelton A.; Morais, Mariana AB; Terrett, Oliver Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.40291	text	January 2019
Crystal structures of disordered Z-type helices Karthik, S.; Mandal, P. K.; Thirugnanasambandam, A. Protein Data Bank, Rutgers University https://doi.org/10.2210/pdb6a1q/pdb	text	January 2019
Structure of AadA from Salmonella enterica : a monomeric aminoglycoside (3′′)(9) adenyltransferase Chen, Yang; Näsvall, Joakim; Wu, Shiying Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2016-04590	text	January 2015
Identification and Crystallographic Analysis of a New Carbohydrate Acetylesterase (SmAcE1) from Sinorhizobium meliloti Oh, Changsuk; Ryu, Bum; Yoo, Wanki Crystals, Vol. 8, Issue 1 https://doi.org/10.3390/cryst8010012	journal	January 2018
Crystal Structure of Human EOLA1 Implies Its Possibility of RNA Binding Kim, Minju; Park, Sang Ho; Park, Joon Sung Molecules, Vol. 24, Issue 19 https://doi.org/10.3390/molecules24193529	journal	September 2019
Molecular mechanism of the RNA helicase DHX37 and its activation by UTP14A in ribosome biogenesis M., Boneberg, Franziska; Tobias, Brandmann,; Lena, Kobel, ETH Zurich https://doi.org/10.3929/ethz-b-000344919	text	January 2019
Structure of the human lipid-gated cation channel TRPC3 Fan, Chen; Choi, Wooyoung; Sun, Weinan eLife, Vol. 7 https://doi.org/10.7554/elife.36852	journal	May 2018
Binding and transport of D-aspartate by the glutamate transporter homolog GltTk Arkhipova, Valentina; Trinco, Gianluca; Ettema, Thijs W. eLife, Vol. 8 https://doi.org/10.7554/elife.45286	journal	April 2019
Bacillus anthracis Prolyl 4-Hydroxylase Modifies Collagen-like Substrates in Asymmetric Patterns Schnicker, Nicholas J.; Dey, Mishtu Journal of Biological Chemistry, Vol. 291, Issue 25 https://doi.org/10.1074/jbc.m116.725432	journal	June 2016
Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions Kumar, Rohit; Ignjatović, Majda Misini; Peterson, Kristoffer ChemMedChem, Vol. 14, Issue 16 https://doi.org/10.1002/cmdc.201900293	journal	July 2019
Type I fatty acid synthase trapped in the octanoyl‐bound state Rittner, Alexander; Paithankar, Karthik S.; Himmler, Aaron Protein Science, Vol. 29, Issue 2 https://doi.org/10.1002/pro.3797	journal	January 2020
Structural and chemical trapping of flavin‐oxide intermediates reveals substrate‐directed reaction multiplicity Lin, Kuan‐Hung; Lyu, Syue‐Yi; Yeh, Hsien‐Wei Protein Science, Vol. 29, Issue 7 https://doi.org/10.1002/pro.3879	journal	May 2020
RNA Specificity and Autoregulation of DDX17, a Modulator of MicroRNA Biogenesis Ngo, Tri D.; Partin, Alexander C.; Nam, Yunsun Cell Reports, Vol. 29, Issue 12 https://doi.org/10.1016/j.celrep.2019.11.059	journal	December 2019
Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered δ-Protocadherins Harrison, Oliver J.; Brasch, Julia; Katsamba, Phinikoula S. Cell Reports, Vol. 30, Issue 8 https://doi.org/10.1016/j.celrep.2020.02.003	journal	February 2020
Identification of a pH-Sensitive Switch in VSV-G and a Crystal Structure of the G Pre-fusion State Highlight the VSV-G Structural Transition Pathway Beilstein, Frauke; Abou Hamdan, Abbas; Raux, Hélène Cell Reports, Vol. 32, Issue 7 https://doi.org/10.1016/j.celrep.2020.108042	journal	August 2020
Structural and biochemical data of Trichoderma harzianum GH1 β-glucosidases Florindo, Renata N.; Souza, Valquiria P.; Mutti, Hemily S. Data in Brief, Vol. 15 https://doi.org/10.1016/j.dib.2017.09.044	journal	December 2017
Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element Galasiti Kankanamalage, Anushka C.; Kim, Yunjeong; Damalanka, Vishnu C. European Journal of Medicinal Chemistry, Vol. 150 https://doi.org/10.1016/j.ejmech.2018.03.004	journal	April 2018
Structure of a Cytoplasmic 11-Subunit RNA Exosome Complex Kowalinski, Eva; Kögel, Alexander; Ebert, Judith Molecular Cell, Vol. 63, Issue 1 https://doi.org/10.1016/j.molcel.2016.05.028	journal	July 2016
Structure of an Actinobacterial-Type [NiFe]-Hydrogenase Reveals Insight into O 2 -Tolerant H 2 Oxidation Schäfer, Caspar; Bommer, Martin; Hennig, Sandra E. Structure, Vol. 24, Issue 2 https://doi.org/10.1016/j.str.2015.11.010	journal	February 2016
Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist Pellegrini, Erika; Palencia, Andrés; Braun, Laurence Structure, Vol. 25, Issue 1 https://doi.org/10.1016/j.str.2016.10.011	journal	January 2017
Synthesis and applications of RNAs with position-selective labelling and mosaic composition Liu, Yu; Holmstrom, Erik; Zhang, Jinwei Nature, Vol. 522, Issue 7556 https://doi.org/10.1038/nature14352	journal	May 2015
Structure- and function-based design of Plasmodium-selective proteasome inhibitors Li, Hao; O’Donoghue, Anthony J.; van der Linden, Wouter A. Nature, Vol. 530, Issue 7589 https://doi.org/10.1038/nature16936	journal	February 2016
Non-classical transpeptidases yield insight into new antibacterials Kumar, Pankaj; Kaushik, Amit; Lloyd, Evan P. Nature Chemical Biology, Vol. 13, Issue 1 https://doi.org/10.1038/nchembio.2237	journal	November 2016
Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex Morita, Daisuke; Yamamoto, Yukie; Mizutani, Tatsuaki Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10356	journal	January 2016
Structural basis for Mep2 ammonium transceptor activation by phosphorylation van den Berg, Bert; Chembath, Anupama; Jefferies, Damien Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11337	journal	April 2016
Crystal structures of U6 snRNA-specific terminal uridylyltransferase Yamashita, Seisuke; Takagi, Yuko; Nagaike, Takashi Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15788	journal	June 2017
Myosin 7 and its adaptors link cadherins to actin Yu, I-Mei; Planelles-Herrero, Vicente J.; Sourigues, Yannick Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15864	journal	June 2017
Cryo-EM reveals the conformation of a substrate analogue in the human 20S proteasome core da Fonseca, Paula C. A.; Morris, Edward P. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8573	journal	July 2015
Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling Tang, Yang; Chen, Min; Zhou, Li Cell Discovery, Vol. 5, Issue 1 https://doi.org/10.1038/s41421-018-0077-3	journal	January 2019
Widespread bacterial lysine degradation proceeding via glutarate and L-2-hydroxyglutarate Knorr, Sebastian; Sinn, Malte; Galetskiy, Dmitry Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07563-6	journal	November 2018
Tightly-orchestrated rearrangements govern catalytic center assembly of the ribosome Zhou, Yi; Musalgaonkar, Sharmishtha; Johnson, Arlen W. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08880-0	journal	February 2019
Crystal structure of a lipin/Pah phosphatidic acid phosphatase Khayyo, Valerie I.; Hoffmann, Reece M.; Wang, Huan Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15124-z	journal	March 2020
De novo protein design by citizen scientists Koepnick, Brian; Flatten, Jeff; Husain, Tamir Nature, Vol. 570, Issue 7761 https://doi.org/10.1038/s41586-019-1274-4	journal	June 2019
Plasticity in binding confers selectivity in ligand-induced protein degradation Nowak, Radosław P.; DeAngelo, Stephen L.; Buckley, Dennis Nature Chemical Biology, Vol. 14, Issue 7 https://doi.org/10.1038/s41589-018-0055-y	journal	June 2018
Structural studies of the periplasmic portion of the diguanylate cyclase CdgH from Vibrio cholerae Xu, Min; Wang, Yi-Zhi; Yang, Xiu-An Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-01989-6	journal	May 2017
Structural and Biochemical Characterization of Apicomplexan Inorganic Pyrophosphatases Jamwal, Abhishek; Yogavel, Manickam; Abdin, Malik. Z. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-05234-y	journal	July 2017
Characterization of C-terminal structure of MinC and its implication in evolution of bacterial cell division Yang, Shaoyuan; Shen, Qingya; Wang, Shu Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-08213-5	journal	August 2017
First crystal structure of an endo-levanase – the BT1760 from a human gut commensal Bacteroides thetaiotaomicron Ernits, Karin; Eek, Priit; Lukk, Tiit Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-44785-0	journal	June 2019
Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold Zalar, Matja; Indrakumar, Sowmya; Levy, Colin W. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-45565-6	journal	June 2019
Structural and enzymatic characterisation of the Type III effector NopAA (=GunA) from Sinorhizobium fredii USDA257 reveals a Xyloglucan hydrolase activity Dorival, Jonathan; Philys, Sonia; Giuntini, Elisa Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-67069-4	journal	June 2020
Structural characterization of HypX responsible for CO biosynthesis in the maturation of NiFe-hydrogenase Muraki, Norifumi; Ishii, Kentaro; Uchiyama, Susumu Communications Biology, Vol. 2, Issue 1 https://doi.org/10.1038/s42003-019-0631-z	journal	October 2019
Structural basis for virulence regulation in Vibrio cholerae by unsaturated fatty acid components of bile Cruite, Justin T.; Kovacikova, Gabriela; Clark, Kenzie A. Communications Biology, Vol. 2, Issue 1 https://doi.org/10.1038/s42003-019-0686-x	journal	November 2019
Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex Jessop, Matthew; Arragain, Benoit; Miras, Roger Communications Biology, Vol. 3, Issue 1 https://doi.org/10.1038/s42003-020-0772-0	journal	January 2020
Structure and mechanism of an antibiotics-synthesizing 3-hydroxykynurenine C-methyltransferase Chen, Sheng-Chia; Huang, Chi-Hung; Lai, Shu-Jung Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep10100	journal	May 2015
Comment on “Structural dynamics of cisplatin binding to histidine in a protein” [Struct. Dyn. 1, 034701 (2014)] Tanley, S. W. M.; Helliwell, J. R. Structural Dynamics, Vol. 3, Issue 3 https://doi.org/10.1063/1.4948613	journal	May 2016
Measuring and modeling diffuse scattering in protein X-ray crystallography Van Benschoten, Andrew H.; Liu, Lin; Gonzalez, Ana Proceedings of the National Academy of Sciences, Vol. 113, Issue 15 https://doi.org/10.1073/pnas.1524048113	journal	March 2016
Structure of a BAG6 (Bcl-2-associated Athanogene 6)-Ubl4a (Ubiquitin-like Protein 4a) Complex Reveals a Novel Binding Interface That Functions in Tail-anchored Protein Biogenesis Kuwabara, Naoyuki; Minami, Ryosuke; Yokota, Naoto Journal of Biological Chemistry, Vol. 290, Issue 15 https://doi.org/10.1074/jbc.m114.631804	journal	April 2015
A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp Altieri, Amanda S.; Ladner, Jane E.; Li, Zhuo Nucleic Acids Research, Vol. 44, Issue 13 https://doi.org/10.1093/nar/gkw351	journal	May 2016
Human MARF1 is an endoribonuclease that interacts with the DCP1:2 decapping complex and degrades target mRNAs Nishimura, Tamiko; Fakim, Hana; Brandmann, Tobias Nucleic Acids Research, Vol. 46, Issue 22 https://doi.org/10.1093/nar/gky1011	journal	October 2018
The conserved XPF:ERCC1-like Zip2:Spo16 complex controls meiotic crossover formation through structure-specific DNA binding Arora, Kanika; Corbett, Kevin D. Nucleic Acids Research, Vol. 47, Issue 5 https://doi.org/10.1093/nar/gky1273	journal	December 2018
Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase Jackson, Lynnette N.; Chim, Nicholas; Shi, Changhua Nucleic Acids Research, Vol. 47, Issue 13 https://doi.org/10.1093/nar/gkz513	journal	June 2019
Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands Suckling, Richard J.; Korona, Boguslawa; Whiteman, Patricia https://doi.org/10.1101/101394	journal	January 2017
Native phasing of x-ray free-electron laser data for a G protein–coupled receptor Batyuk, Alexander; Galli, Lorenzo; Ishchenko, Andrii Science Advances, Vol. 2, Issue 9 https://doi.org/10.1126/sciadv.1600292	journal	September 2016
The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN Martín-Mora, David; Ortega, Álvaro; Matilla, Miguel A. mBio, Vol. 10, Issue 1 https://doi.org/10.1128/mbio.02334-18	journal	February 2019
Binding of undamaged double stranded DNA to vaccinia virus uracil-DNA Glycosylase Schormann, Norbert; Banerjee, Surajit; Ricciardi, Robert BMC Structural Biology, Vol. 15, Issue 1 https://doi.org/10.1186/s12900-015-0037-1	journal	June 2015
The lipid transfer protein Saposin B does not directly bind CD1d for lipid antigen loading Shamin, Maria; Benedyk, Tomasz H.; Graham, Stephen C. Wellcome Open Research, Vol. 4 https://doi.org/10.12688/wellcomeopenres.15368.2	journal	January 2019
An intercalation-locked parallel-stranded DNA tetraplex Tripathi, Shailesh; Zhang, Daoning; Paukstelis, Paul J. Digital Repository at the University of Maryland https://doi.org/10.13016/m2ww7705n	text	January 2015
Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase Myllykoski, Matti; Kursula, Petri PLOS ONE, Vol. 12, Issue 1 https://doi.org/10.1371/journal.pone.0170355	journal	January 2017
Structural models of the different trimers present in the core of phycobilisomes from Gracilaria chilensis based on crystal structures and sequences Dagnino-Leone, Jorge; Figueroa, Maximiliano; Mella, Claudia PLOS ONE, Vol. 12, Issue 5 https://doi.org/10.1371/journal.pone.0177540	journal	May 2017
Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease Biterova, Ekaterina; Ignatyev, Alexander; Uusimaa, Johanna PLOS ONE, Vol. 13, Issue 8 https://doi.org/10.1371/journal.pone.0202391	journal	August 2018
Structural insight into substrate and product binding in an archaeal mevalonate kinase Miller, Bradley R.; Kung, Yan PLOS ONE, Vol. 13, Issue 12 https://doi.org/10.1371/journal.pone.0208419	journal	December 2018
Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress Kim, Jeong Joo; Flueck, Christian; Franz, Eugen PLOS Pathogens, Vol. 11, Issue 2 https://doi.org/10.1371/journal.ppat.1004639	journal	February 2015
Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages Tran, Thao Thanh; Mathmann, Carmen D.; Gatica-Andrades, Marcela PLOS Pathogens, Vol. 18, Issue 1 https://doi.org/10.1371/journal.ppat.1010166	journal	January 2022
Contribution of a Low-Barrier Hydrogen Bond to Catalysis Is Not Significant in Ketosteroid Isomerase Jang, Do Soo; Choi, Gildon; Cha, Hyung Jin Molecules and Cells, Vol. 38, Issue 5 https://doi.org/10.14348/molcells.2015.2266	journal	May 2015
Structure and activation of pro-activin A. Wang, Xuelu; Fischer, Gerhard; Hyvönen, Marko Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.220	text	January 2016
Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Morgunova, Ekaterina; Yin, Yimeng; Das, Pratyush K. eLife Sciences Publications, Ltd https://doi.org/10.17863/cam.30798	journalarticle	January 2018
The Crystal Structure of a Streptomyces thermoviolaceus Thermophilic Chitinase Known for Its Refolding Efficiency Malecki, Piotr H.; Bejger, Magdalena; Rypniewski, Wojciech International Journal of Molecular Sciences, Vol. 21, Issue 8 https://doi.org/10.3390/ijms21082892	journal	April 2020
Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline Korasick, David; Pemberton, Travis; Arentson, Benjamin Molecules, Vol. 23, Issue 1 https://doi.org/10.3390/molecules23010032	journal	December 2017
Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites Laulumaa, Saara; Kursula, Petri Molecules, Vol. 24, Issue 17 https://doi.org/10.3390/molecules24173044	journal	August 2019
A Second Look at the Crystal Structures of Drosophila melanogaster Acetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides Nachon, Florian; Rosenberry, Terrone L.; Silman, Israel Molecules, Vol. 25, Issue 5 https://doi.org/10.3390/molecules25051198	journal	March 2020
Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR Niranjan, Varma,; Eshita, Mutt,; Jonas, Mühle, ETH Zurich https://doi.org/10.3929/ethz-b-000352552	text	January 2019
Acidic pH and divalent cation sensing by PhoQ are dispensable for systemic salmonellae virulence Hicks, Kevin G.; Delberg, Scott P.; Sancho-Vaello, Enea eLife https://doi.org/10.7554/elife.06792.019	journal	May 2015
Crystal structures of DNA polymerase I capture novel intermediates in the DNA synthesis pathway Chim, Nicholas; Jackson, Lynnette N.; Trinh, Anh M. eLife, Vol. 7 https://doi.org/10.7554/elife.40444	journal	October 2018

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