Clore, G. Marius - Laboratory of Chemical Physics. National Institutes of Health

• Structural Basis of the Association of HIV-1 Matrix Protein with DNA
• How Much Backbone Motion in Ubiquitin Is Required To Account for Dipolar Coupling Data Measured in Multiple
• Prorein Science (1996), 5:1067-1080. Cambridge University Press. Printed in the USA. Copyright 0 1996 The Protein Society
• Characterization of Nonspecific Protein-DNA Interactions by H Paramagnetic Relaxation Enhancement
• Biochemistry 1988, 27, 4185-4197 4185 Refinement of the Solution Structure of the DNA Dodecamer
• Sensitivity improvement for correlations involving arginine side-chain Ne/He resonances in multi-dimensional NMR experiments using
• Journal of Biomolecular NMR, 10 (1997) 317328 317 *Present address: Laboratory of Molecular Biophysics, The Rockefeller University, 1230 York Avenue, Box 42, New York, NY 10021, U.S.A.
• Volume 136,number 1 FEBSLETTERS December1981 CONFORMATIONAL SELECTION OF syn-cAMP UPON BINDING TO THE cAMP
• Gene, 65 (1988) 259-268 Purification and characterization of the DNA-binding protein Ner of bacteriophage Mu
• Biochem. J. (1986) 236, 643-649 (Printed in Great Britain) Overproduction of the cyclic AMP receptor protein of
• Volume 159, number 1,2 FEBS 0638 August 1983 Specific DNA binding of the cyclic AMP receptor protein to a
• Biochemistry 1992, 31, 3463-347 1 3463 Three-Dimensional Solution Structure of the E3-Binding Domain of the
• Cell, Voi. 81,705-714, June2, 1995,Copyright 1995by Cell Press Molecular Basis of Human 46X,Y Sex Reversal
• The Solution Structure of a Fungal AREA Protein-DNA Complex: An Alternative Binding Mode for the Basic
• Biochem. J. (1979) 177, 613-621 Printed in Great Britain
• 3718 Biochemistry 1987, 26, 3718-3733 Refinement of the Solution Structure of the DNA Hexamer 5'd(GCATGC)2
• Prog.Biophys.molec.Biol.,Vol.62,pp. 153-184,1994 1994ElsevierScienccLtd
• Mechanistic details of a proteinprotein association pathway revealed by paramagnetic relaxation
• Temperature-Dependent Intermediates in HIV-1 Envelope Glycoprotein-Mediated Fusion Revealed by Inhibitors that Target N-and C-Terminal Helical Regions of
• Supplementary Material Automated error-tolerant macromolecular structure determination
• JOURNAL OF MAGNETIC RESONANCE 81,2 12-2 16(1989) Three-Dimensional Homonuclear Hartmann-Hahn-Nuclear
• Supporting Information Takayama and Clore 10.1073/pnas.1100050108
• SUPPLEMENTARY MATERIAL Role of Electrostatic Interactions in Transient Encounter Complexes in
• 5978 Biochemistry 1989, 28, 5978-5984 Lumrey, R., & Rajender, S. (1970) Biopolymers 9,
• Differential Inhibition of HIV-1 and SIV Envelope-Mediated Cell Fusion by C34 Peptides Derived from the C-Terminal Heptad Repeat of gp41 from Diverse
• Biochemistry 1990, 29, 5671-5676 5671 Gutteridge, S.,Reddy, G. S., & Lorimer, G. H. (1989) Bio-
• Biochemistry 1990, 29. 183-1 89 183 amino acids play a beneficial role in forming the necks of a
• Progress in NMR Spectroscopy, Vol. 17, pp. l-32,1985 Printed in Great Bntain. All rights reserved.
• Theory, Practice, and Applications of Paramagnetic Relaxation Enhancement for the Characterization of Transient Low-Population States of Biological
• Eur. J. Biochem. 179, 565-571 (1989) ( % FEBS 1989
• Protein Science (1996), 5:174-177. Cambridge University Press. Printed in the USA. Copyright 0 1996 The Protein Society
• Protein Science (l997),6:2359-2364. Cambridge University Press. Printed in the USA. Copyright 0 1997 The Protein Society
• A Physical Picture of Atomic Motions within the Dickerson DNA Dodecamer in Solution Derived from Joint Ensemble Refinement against NMR and Large-Angle
• Spin State Selective Carbon-Detected HNCO with TROSY Optimization in all Dimensions and Double Echo-Antiecho Sensitivity Enhancement in Both Indirect Dimensions
• JOURNAL OF MAGNETIC RESONANCE 61, 158-164 (1985) Assessment of Errors Involved in the Determination of Interproton
• Proc. Natl. Acad. Sci. USA Vol. 93, pp. 11461150, February 1996
• 9324 Biochemistry 1990, 29, 9324-9334 J. Biol. Chem. 265, 3750.
• JOURNAL OF MAGNETIC RESONANCE 54, 170-173 ( 1983) The l-l Hard Pulse:A Simple and Effective Method of Water
• FEBS Letters 338 (1994) 93-97 Mapping the binding surface of interleukin-8 complexed with an
• Biochemistry 1991, 30, 2315-2323 2315 High-Resolution Three-DimensionalStructure of Interleukin 1,6in Solution by
• Kinetics of Amyloid Monomer-to-Oligomer Exchange by NMR Relaxation Nicolas L. Fawzi, Jinfa Ying, Dennis A. Torchia, and G. Marius Clore*
• Biochemistry 1991, 30, 2685-2698 2685 High-Resolution Three-Dimensional Structure of Reduced Recombinant Human
• Interference between transverse cross-correlated relaxation and longitudinal relaxation affects apparent J-coupling and
• Supplementary Information Combined use of Residual Dipolar Couplings and Solution X-ray Scattering to
• Journal of Biomolecular NMR, 23: 221225, 2002. KLUWER/ESCOM
• Inorganica Chimica Acta, 55 (1981) L47-L49 @Elsevier Sequoia S.A., Lausanne -Printed in Switzerland
• J. Mol. Biol. (1986) 187, 119-124 LETTERSTOTHEEDITOR
• FOR THE RECORD Is human thioredoxin monomeric or dimeric?
• Molecular Basis for Synergistic Transcriptional Activation by Oct1 and Sox2 Revealed from the Solution Structure of the 42-kDa
• Direct Observation of Enhanced Translocation of a Homeodomain between DNA Cognate Sites by NMR Exchange Spectroscopy
• Biochemistry 1992,31, 10449-10457 10449 1.67-A X-ray Structure of the B2 Immunoglobulin-Binding Domain of
• Calculation of transverse paramagnetic relaxation en-hancement rates
• Protein Science (1994),3:2064-2072. Cambridge University Press. Printed in the USA. Copyright 0 1994 The Protein Society
• J. Am. Chem. SOC.1987, 109, 6511-6513 6511 Table I. Photoisomerization of Aryl Dienes (2-6) in Hexane".*
• Volume 179, number 2 FEBS 2134 January 1985 Probi ng the three-dimensional structures of DNA and RNA
• J. Mol. Biol. (1986) 190, 259-267 Stereochemistry of Binding of the Tetrapeptide
• Supporting Information Doucleff and Clore 10.1073/pnas.0805050105
• 9020 J. Am. Chem. SOC. In a typical procedure,6 0.1 g of [Fe(phen)3](C104)3was dis-
• Figure S1. Evaluation of the transfer efficiency as a function of delays 1 and 2. The transfer efficiency ranges from 0 to 0.85, where 1 represents the transfer efficiency of sensitivity-
• Volume 229, number 2, 317-324 FEB 05624 March 1988 Determination of three-dimensional structures of proteins from
• Inorganica ChimicaActa, 46 (1980) 139-146 @Elsevier Sequoia S.A., Lausanne -Printed in Switzerland
• Crystal Structure of Cyanovirin-N, a Potent HIV-inactivating Protein, Shows Unexpected
• Conformational Changes in HIV-1 gp41 in the Course of HIV-1 Envelope Glycoprotein-Mediated Fusion and Inactivation
• The election procedures of scientific acade-mies are often seen as opaque, clubby and
• 1732 Biochemistry 1987, 26, 1732-1745 Three-Dimensional Structure of Phoratoxin in Solution: Combined Use of Nuclear
• Direct Use of 15 N Relaxation Rates as Experimental Restraints on Molecular
• The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal
• JOURNAL OF MAGNETIC RESONANCE 84,398-409 ( 1989) COMMUNICATIONS
• Supporting Information Ensemble Approach for NMR Structure Refinement Against 1
• Localization of bound water in the solution structure of a complex of the erythroid
• Journal of Chrotnotogrophy, 152 (1978) l-10 0 EIsevier Scientific Publishing Company, Amsterdam -Printed in The Netherlands
• Inorganica Chimicu Acta, 56 (1981) 143-148 @Elsevier Sequoia S.A., Lausanne -Printed in Switzerland
• A Common Interface on Histidine-containing
• Biochem. J. (1980) 185, 139-154 139 Printed in Great Britain
• J. Mol. Biol. (1992) 226, 239-250 A 500 ps Molecular Dynamics Simulation Study of
• 1566 Biochemistry 1990, 29, 1566-1 572 Peng, S.-M., & Ibers, J. A. (1976) J. Am. Chem. SOC.98,
• Eur. J. Biochem. 161,37-43 (1986) A 'H-NMR study of human interleukin-lp
• 4040 Biochemistry 1982, 21, 4040-4048 Proton Nuclear Magnetic Resonance Studies on Cyclic Nucleotide
• Annu. Rev. Biophys. Biomol. Struct. 1998. 27:10531 MINOR GROOVE-BINDING
• Journal of BiomolecularNMR, I (1991) 13 22 13 J-Bio NMR 002
• Supplementary Information Impact of 15
• Visualizing transient events in amino-terminal autoprocessing of HIV-1 protease
• THEJOURNALOF BIOLOGICALCHEMISTRY Vol. 267, No. 27, Issue of September 25,pp. 19101-19106,1992 Printed in U.S.A.
• Theoretical Aspects of Specific and Non-specific Equilibrium Binding of Proteins to DNA as Studied by the
• Proc. Natl. Acad. Sci. USA Vol. 94, pp. 78, January 1997
• Acta Cryst. (1998). D54, 905-921 Crystallography & NMR System: A New Software Suite for Macromolecular Structure
• JOURNAL OF MAGNETIC RESONANCE 83,450-472 ( 1989) Practical andTheoretical Aspectsof Three-Dimensional
• SUPPLEMENTARY MATERIAL Amplitudes of Protein Backbone Dynamics and Correlated Motions in a Small
• COMMUNICATION Concordance of Residual Dipolar Couplings, Backbone
• 2006 Nature Publishing Group Detecting transient intermediates in
• Nature MS 2005-11-13616B Supplementary Information
• NMR structural and kinetic characterization of a homeodomain diffusing and hopping
• Visualization of transient encounter complexes in proteinprotein association
• SUPPLEMENTARY INFORMATION A Physical Picture of Atomic Motions within the Dickerson DNA Dodecamer in Solution Derived
• Intramolecular domaindomain association/ dissociation and phosphoryl transfer in the mannitol
• Elucidating transient macromolecular interactions using paramagnetic relaxation enhancement
• Visualizing lowly-populated regions of the free energy landscape of macromolecular
• Figure S1 Monomeric structure of the SFNF PRD25N protease mini-precursor. a, Amino acid sequence of the
• The Xplor-NIH NMR molecular structure determination package Charles D. Schwieters,a,* John J. Kuszewski,a
• Using XplorNIH for NMR molecular structure determination Charles D. Schwieters a,
• An index to quantify an individual's scientific research output
• Volume 79, number 2 FEBS LETTERS July 1977 A COMPUTER ANALYSIS OF CYANIDE STIMULATED OXYGEN UPTAKE IN
• Biochem. J. (1980) 185,155-167 155 Printed in Great Britain
• Biochem. J. (1980) 187, 617-622 617 Printed in Great Britain
• Biochimica et Biophysica Acta, 590 (1980) 34--49 Elsevier/North-Holland Biomedical Press
• Plant Physiol. (1981) 68, 229-235 0032-0889/81/68/0229/07/$00.50/0
• Vol. 101, No. 4,198l BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS August 31, 1981 Pages 1139-1144
• Volume 133, number 1 FEBS LETTERS October 1981 MODULATION OF SPECIFIC BINDING OF LACTOBACZLLUS CASE/ DIHYDROFOLATE
• J. Am. Chem. SOC.1982, 104, 1369-1375 1369 Kinetic and Structural Studies on the Intermediates Formed
• JOURNAL OF MAGNETIC RESONANCE 48,402-417 (1982) Theory and Applications of the Transferred Nuclear Overhauser
• Volume 139, number 1 FEBS LETTER? March 1982 DNA BINDING OF CAMP RECEPTOR PROTEIN AND ITS N-TERMJNAL CORE STABILIZES
• Eur. J. Biochem. 128, 113-117(1982) Q FEBS 1982
• Biochemistry 1982, 21, 5831-5838 5831 Nisbet, A. D., Saundry, R. M., Moir, A. J. G., Fothergill, L.
• The EMBO Journal Vol.2 No.2 pp.289-293, 1983 Specific DNA binding of the cAMP receptor protein within the lac
• JOURNAL OF MAGNETIC RESONANCE 53,423-442 ( 1983) Theory of the Time Dependent Transferred Nuclear Overhauser
• MOLECULAR PHARMACOLOGY, 24:443-448 Ab Initio Molecular Orbital Calculations of Electron Distribution in
• The EMBO Journal Vol.2 No.12 pp.2109-2115, 1983 Sequence-dependent structural variations in two right-handed
• Volume 16S5,number 2 FEBS tO96 January 1984 A nuclear Overhauser enhancement study on the imino proton
• THEJOURNALOF BIOLOGICAL CHEMISTRY 0 1984 by The American Society of Biological Chemists, Inc.
• jr. Mol. Biol. (1984) 174, 163-173 Structure of the Ribotrinucleoside Diphosphate
• Biochem. J. (1984) 221, 737-751 Printed in Great Britain
• Biochemistry 1984, 23, 4733-4742 4733 Multinuclear NMR Characterization of Two Coexisting Conformational
• Volume 175, number 1 FEBS 1721 September 1984 Interproton distance measurements in solution for a
• Gene, 35 (1985) 217-222 Short C~mrnuni~at~on
• J. Mol. Biol. (1985) 186, 47 I-473 Comparison of Histidine Proton Magnetic Resonances of
• Eur. J. Biochem 151, 153-165 (1985) $3 FEBS 1985
• J. Mol. Biol. (1985) 186, 435-455 Solution Conformation of a Heptadecapeptide
• J. Mol. Biol. (1986) 188, 455-475 Structure Refinement of Oligonucleotides by Molecular
• J. Mol. Biol. (1986) 191,553-561 Solution Structure of Human Growth Hormone
• Eur. J. Biochem. 161,727-731 (1986) Cooperative DNA binding by lambda integration protein -
• The EMBO Journal vol.5 no. 10 pp.2729 -2735, 1986 The three-dimensional structure of cxl-purothionin in solution
• Volume 209, number 2 FEBS 4272 December 1986 Point mutations of human interleukin-1 with decreased
• J. Mol. Riol. (1987) 193, 571. 578 LETTERSTOTHEEDITOR
• 0 Copyright 1987 by the American Chemical Society Volume 26, Number 2 Accelerated Publications
• 3734 Biochemistry 1987, 26, 3734-3744 Refinement of the Solution Structure of the DNA Decamer
• J. Mol. Biol. (1987) 195, 453-455 Histidine Proton Resonances of
• 8012 Biochemistry 1987, 26, 8012-8023 Three-Dimensional Structure of Potato Carboxypeptidase Inhibitor in Solution. A
• Biochem. J. (1987) 246, 227-232 (Printed in Great Britain) The binding of the cyclic AMP receptor protein to synthetic DNA
• Volume 219, number 1, 11-16 FEB 04819 July 1987 A simple method for delineating well-defined and variable
• JOURNAL OF MAGNETIC RESONANCE 75, 534-539 (1987) Application of the z-COSY Technique with a Modified Pulse
• Biochemistry 1988, 27, 725-730 725 Analysis of an Enzyme-Substrate Complex by X-ray Crystallography and
• Eur. J. Biochem. 171,479-484 (1988) Determination of the backbone conformation of secretin
• Biochemistry 1988, 27, 1735-1743 1735 Bugg, C. E., & Sternglanz, H. (1974) in Molecular and
• Biochem. J. (1988) 253, 801-807 (Printed in Great Britain) Mutations in the cyclic AMP binding site of the cyclic AMP
• JOURNAL OF MAGNETIC RESONANCE 79, I54-157 (1988) Automatic Phasingof Pure PhaseAbsorption
• 7620 Biochemistry 1988, 27, 7620-7629 The Solution Conformation of the Antibacterial Peptide Cecropin A: A Nuclear
• Volume 231, number 1, 135-138 FBB 05761 April 1988 Site directed mutants of human interleukin-la: a lH-NMR and
• Volume 236, number 1, 62-70 FEB 06068 August 1988 Refinement of the solution structure of the RNA-DNA hybrid
• Volume 242, number 1, 178-182 FEB 06635 December 1988 1H_NMR studies on nucleotide binding to the catalytic sites of
• 2178 Biochemistry 1989, Ho, C., Lindstrom, T. R., Baldassare, J. J., & Breen, J. J.
• Volume 243, number 1, 93-98 FEB 06634 January 1989 A powerful method of sequential proton resonance assignment in
• 479Volume 24, Issue 5 (1989) DETERMINATION OF THREE-DIMENSIONAL STRUCTURES OF
• 7088 Biochemistry 1989, 28, 7088-7097 A Proton Nuclear Magnetic Resonance Assignment and Secondary Structure
• THEJOURNALOF BIOLOGICALCHEMISTRY Vol. 264, No. 32, Issue of November 15,pp. 18907-18911,1969 Printed in U.S.A.
• Biochemistry 1990, from substrate-enzyme interactions to stabilize the catalytic
• JOURNAL OF MAGNETIC RESONANCE 87,620-627 ( 1990) Practical Aspectsof Proton-Carbon-Carbon-Proton Three-
• JOURNAL OF MAGNETIC RESONANCE 88,425-43 1( 1990) `H-`H Correlation via Isotropic Mixing of 13CMagnetization,
• J. Am. Chem. Soc. 1990, I12, 4989-4991 4989 Scheme111. Constructionof the DE Ring System (2) of Brevetoxin
• Biochemistry 1990, 29, 7387-7401 7387 Analysis of the Backbone Dynamics of Interleukin-1,6 Using Two-Dimensional
• 8172 Biochemistry 1990, 29, 8172-8 184 Assignment of the Side-Chain 'H and 13CResonances of Interleukin-10Using
• Volume 270, number 1,2, 76-80 FEBS 08845 Purification and characterization of the
• J. Mol. Biol. (1991) 217, 611-620 Comparison of the Solution Nuclear Magnetic Resonance
• J. Mol. Biol. (1991) 220. 209-216 Determination of the Positions of Bound Water Molecules in
• J. Mo2. Biol. (1991) 221, 47-53 Comparison of the Solution Nuclear Magnetic Resonance
• Structure of calmodulin-target peptide complexes G Marius Clore, Ad Bax, Mitsuhiko Ikura and Angela M Gronenborn
• 2852 Biochemistry 1994, 33, 2852-2858 Determination of the Secondary Structure and Folding Topology of an RNA
• FEBS Letters 345 (1994) 125-130 Refolding proteins by gel filtration chromatography
• The high-resolution three-dimensional solution structures of the oxidized and reduced states of human thioredoxin
• Symmetry and asymmetry inthe function of Escherichia coli integration host factor: implications for target
• High-resolution structure of Ascaris trypsin inhibitor in solution: direct evidence for a pH-induced
• Protein Science (1994), 3:1945-1952. Cambridge University Press. Printed in the USA. Copyright 0 1994 The Protein Society
• A novel class of winged helix-turn-helix protein: the DNA-binding domain of Mu transposase
• 0892-6638/95/0009-0057/$01 .50. FASEB 57 and )igestive and Kidney Diseases, National
• Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide
• 9826 Biochemistry 1995,34, 9826-9833 Solution Structure of the DNA Binding Domain of HIV-1 Integrase'
• The solution structure of the Mu Ner protein reveals a helix-turn-helix DNA recognition motif
• Proc. Natl. Acad. Sci. USA Vol. 93, pp. 28222826, April 1996
• JOURNAL OF MAGNETIC RESONANCE 125, 171177 (1997) ARTICLE NO. MN971116
• The EMBO Journal Vol.16 No.10 pp.28742882, 1997 The N-terminal fingers of chicken GATA-2 and
• Identification by NMR of the Binding Surface for the Histidine-Containing Phosphocarrier Protein HPr on the N-Terminal Domain of Enzyme I of the
• Architectural Accommodation in the Complex of Four p53 DNA Binding Domain Peptides with the p21/waf1/cip1
• Protein Science (1997), 61653-1660. Cambridge University Press. Printed in the USA. Copyright 0 1997 The Protein Society
• Recent advances in multidimensional nuclear magnetic resonance methodology to obtain 1H, 15N and 13C resonance
• Journal of Biomolecular NMR, 11: 97102, 1998. KLUWER/ESCOM
• Preparation of Uniformly Isotope-labeled DNA Oligonucleotides for NMR Spectroscopy*
• JOURNAL OF MAGNETIC RESONANCE 131, 159162 (1998) ARTICLE NO. MN971345
• Prorein Science (1998). 7789-793. Cambridge University Press. Printed in the USA Copyright 0 1998 The Protein Society
• The Solution Structure of the Leu22 3 Val Mutant AREA DNA Binding Domain Complexed with a
• A Robust Method for Determining the Magnitude of the Fully Asymmetric Alignment Tensor of Oriented Macromolecules
• Determining the Magnitude of the Fully Asymmetric Diffusion Tensor from Heteronuclear Relaxation
• 166 nature structural biology volume 6 number 2 february 1999 Solution structure of the 40,000 Mr
• FOR THE RECORD Monomer-trimer equilibrium of the ectodomain
• 868 nature structural biology volume 6 number 9 september 1999 Retroviral proteases including HIV-1 protease, which range in
• Impact of Residual Dipolar Couplings on the Accuracy of NMR Structures Determined from a
• Evaluation of Cross-Correlation Effects and Measurement of One-Bond Couplings in Proteins with Short Transverse Relaxation Times
• Biophysical Characterization of gp41 Aggregates Suggests a Model for the Molecular Mechanism of HIV-associated
• Determination of the Relative Orientation of the Two Halves of the Domain-Swapped Dimer of Cyanovirin-N in Solution Using Dipolar
• Acta Cryst. (2000). D56, 15351540 Chen & Clore Molecular replacement of p53 tet domain 1535 research papers
• Improving the Accuracy of NMR Structures of DNA by Means of a Database Potential of Mean Force Describing Base-Base Positional
• Design and Properties of NCCG-gp41, a Chimeric gp41 Molecule with Nanomolar HIV Fusion Inhibitory Activity*
• Rapid Identification of Medium-to Large-Scale Interdomain Motion in Modular Proteins Using
• Accurate Orientation of the Functional Groups of Asparagine and Glutamine Side Chains Using One-
• Journal of Magnetic Resonance 152, 288302 (2001) doi:10.1006/jmre.2001.2413, available online at http://www.idealibrary.com on
• letters to nature NATURE |VOL 415 |28 FEBRUARY 2002 |www.nature.com 1051
• Recent developments in experimental and computational aspects of NMR spectroscopy have had a significant impact
• 1 Rotamer Populations and Angles of Mobile Surface Side Chains Are Accurately Predicted by a Torsion Angle Database Potential of Mean Force
• Design of a Novel Peptide Inhibitor of HIV Fusion That Disrupts the Internal Trimeric Coiled-coil of gp41*
• Improving the Accuracy of NMR Structures of RNA by Means of Conformational Database Potentials of Mean Force as
• Covalent Trimers of the Internal N-terminal Trimeric Coiled-coil of gp41 and Antibodies Directed against Them Are Potent Inhibitors of
• EDTA-Derivatized Deoxythymidine as a Tool for Rapid Determination of Protein Binding Polarity to DNA by Intermolecular Paramagnetic Relaxation
• Relaxation-Optimized NMR Spectroscopy of Methylene Groups in Proteins and Nucleic Acids
• NMR-Driven Discovery of Benzoylanthranilic Acid Inhibitors of Far Upstream Element Binding Protein Binding to the Human Oncogene c-myc Promoter
• Solution Structure of Enzyme IIAChitobiose N,N -Diacetylchitobiose Branch of the Escherichia coli
• Crystal Structures of the HIV-1 Inhibitory Cyanobacterial Protein MVL Free and Bound to Man3GlcNAc2
• Accurate determination of leucine and valine side-chain conformations using H-(methine/methyl)-Leu/Val] isotope labeling, NOE
• Visualization of the Phosphorylated Active Site Loop of the Cytoplasmic B Domain of the Mannitol
• COMMUNICATION Characterization and HIV-1 Fusion Inhibitory Properties
• Solution Structure of a Post-transition State Analog of the Phosphotransfer Reaction between the A and B Cytoplasmic
• C-detected HN(CA)C and HMCMC experiments using a single methyl-reprotonated sample for unambiguous methyl resonance
• Heteronuclear NMR Spectroscopy for Lysine NH3 Groups in Proteins: Unique Effect of Water Exchange on
• Spin-State Selective Carbon-Detected HNCO with TROSY Optimization in All Dimensions and Double Echo-Antiecho
• JOURNAL OF VIROLOGY, Dec. 2007, p. 1294612953 Vol. 81, No. 23 0022-538X/07/$08.00 0 doi:10.1128/JVI.01260-07
• A Pseudopotential for Improving the Packing of Ellipsoidal Protein Structures Determined from NMR Data
• Visualization of Transient Ultra-Weak Protein Self-Association in Solution Using Paramagnetic Relaxation Enhancement
• Antibody elicited against the gp41 N-heptad repeat (NHR) coiled-coil can neutralize HIV-1 with modest potency but non-neutralizing antibodies also
• Impact of Phosphorylation on Structure and Thermodynamics of the Interaction between the N-terminal Domain of Enzyme I
• Supporting Information Kim et al. 10.1073/pnas.0802460105
• Automated error-tolerant macromolecular structure determination from multidimensional nuclear Overhauser
• JOURNAL OF VIROLOGY, Oct. 2008, p. 1003210041 Vol. 82, No. 20 0022-538X/08/$08.00 0 doi:10.1128/JVI.01050-08
• Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor To Restrain Molecular
• SUPPLEMENTARY INFORMATION Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor to
• Using multiple quantum coherence to increase the 15 N resolution
• Af nity maturation by targeted diversi cation of the CDR-H2 loop of a monoclonal Fab derived from a synthetic nave human antibody library and directed against
• Solution Structure of the 128 kDa Enzyme I Dimer from Escherichia coli and Its 146 kDa Complex with HPr Using
• SUPPLEMENTARY INFORMATION Solution Structure of the 128 kDa Enzyme I Dimer from Escherichia coli and
• Supporting Information Gustchina et al. 1 SUPPORTING INFORMATION
• Water in the Polar and Nonpolar Cavities of the Protein Interleukin-1 Guogang Feng,
• Exploring sparsely populated states of macromolecules by diamagnetic and
• Supplemental Data Shahzad-ul-Hussan et al.
• Intra-and intermolecular translocation of the bi-domain transcription factor Oct1 characterized
• This article not subject to U.S. Copyright. Published XXXX by the American Chemical Society A dx.doi.org/10.1021/ja201020c |J. Am. Chem. Soc. XXXX, XXX, 000000
• THENACD JOURNAL Exploring Peacock: Marius lo re' andLorry ree en'
• It is axiomatic that a detailed understanding of the function of a macromolecule requires knowledge of its
• Supplementary Information EDTA-Derivatized Deoxythymidine as a Tool for Rapid Determination of Protein
• Biochem. J. (1987) 242, 645-653 (Printed in Great Britain) Probing the sequence-specific interaction of the cyclic AMP
• Combined Use of Residual Dipolar Couplings and Solution X-ray Scattering To Rapidly Probe Rigid-Body Conformational Transitions in a
• Eur. J. Biochem. 175,9-15 (1988) Three-dimensional structure of acyl carrier protein
• nature structural biology volume 5 number 10 october 1998 903 1Laboratories of Chemical Physics and 2Molecular Biology, Building 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health,
• Structure-Independent Analysis of the Breadth of the Positional Distribution of Disordered Groups in
• MOLECULAR AND CELLULAR BIOLOGY, May 1996, p. 22382247 Vol. 16, No. 5 0270-7306/96/$04.00 0
• Determination of Three-Bond 1 P Couplings in Nucleic Acids
• nature structural biology volume 5 number 7 july 1998 571 1Laboratory of Chemical Physics, Building 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland
• COMMUNICATION Solution Structure of the Iggg Subdomain of the Mu End
• Three-dimensional Solution Structure of the Cytoplasmic B Domain of the Mannitol Transporter IIMannitol
• with size, the NOESY maps can be expected to be particularly informative for the larger paramagnetic metalloproteins, such
• COMMUNICATION Mapping the Binding of the N-terminal Extracellular
• J. Mol. /lid. (1984) 179; 751-757 Visualization of CAMP Receptor Protein-induced DNA Kinking
• Volume 213, number 2, 269-277 FEB 04500 March 1987 A comparison of the restrained molecular dynamics and
• Critical Reviews in Biochemistry and Molecular Biology, 30(5):351-385 ( 1995) Structures of Protein Complexes
• The Solution Structure of the Human ETS1-DNA Complex Reveals Erratum a Novel Mode of Binding and True Side Chain Intercalation. (1995).
• Mapping the Topology and Determination of a Low-Resolution Three-Dimensional Structure of the Calmodulin-Melittin Complex by Chemical Cross-Linking and
• Volume 239, number 1, 129-136 FEB 06376 October 1988 Determination of three-dimensional structures of proteins from
• Completely Automated, Highly Error-Tolerant Macromolecular Structure Determination from Multidimensional Nuclear
• Biochimica et Biophysica Acta, 545 (1979) 483--495 Elsevier/North-Holland Biomedical Press
• J. Mol. Biol. (1986) 191, 523-551 Application of Molecular Dynamics with Interproton
• 3442 Biochemistry 1992, 31, 3442-3452 Relationship between Electrostatics and Redox Function in Human Thioredoxin
• Biochemistry 1994, 33, 9327-9332 9327 Thermodynamics of Unfolding of the All ,&Sheet Protein Interleukin-1@
• J. Mol. Biol. (1985) 185, 219-226 Refinement of the Solution Structure of the B DNA
• Volume 243, number 2, 223-233 FEB 06669 January 1989 The influence of stereospecific assignments on the determination of
• Solution Structure of the Phosphoryl Transfer Complex between the Signal-transducing Protein IIAGlucose
• Ionization Equilibria for Side-Chain Carboxyl Groups in Oxidized and Reduced Human Thioredoxin and in the Complex with Its Target Peptide from the
• Journal of Magnetic Resonance 149, 239244 (2001) doi:10.1006/jmre.2001.2300, available online at http://www.idealibrary.com on
• J. Mol. Biol. (1985) 183, 491-498 The pK, Values of Two Histidine Residues
• Volume 1 1 Number 16 1983 Nucleic Acids Research A nuear magnetic resonance study of the ribotrinuleoside diphophate UpUpC
• Biochemistry 1989, 28, 2601-2617 2601 Solution Structure of Recombinant Hirudin and the Lys-47 -Glu Mutant: A
• J. Mol. Biol. (1983) 166, 93-98 Protection Against Nuclease Cleavage of pBR322 DNA by the
• Biochem. J. (1984) 217, 659-666 Printed in Great Britain
• Volume 164, number 1 FEBS 0985 November 1983 Cooperative non-specific DNA binding of the N-terminal core
• PTS Protein-Protein Complexes 347 Three-Dimensional Structures of Protein-Protein
• The EMBO Journal Vol.16 No.24 pp.75327541, 1997 Solution structure of the Mu end DNA-binding I
• Supporting Information Direct Observation of Enhanced Translocation of a Homeodomain between DNA Cognate Sites
• Biochemistry 1992, 31, 3907-3917 3907 High-Resolution Solution Structure of the Double Cys2His2Zinc Finger from the
• Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric
• Protein Science (1995), 4:2605-2615. Cambridge University Press. Printed in the USA. Copyright 0 1995 The Protein Society
• 12 Biochemistry 1991, 30, 12-1 8 Topol, J., Rudon, D. M., & Parker, C. S . (1985) Cell 42,
• 2 Anal. Chem. 1990, 62, 2-15 PERSPECTIVE: ANALYTICAL BIOTECHNOLOGY
• Direct Use of 15 N Relaxation Rates as Experimental Restraints on Molecular Shape and
• Solution NMR Structures of Productive and Non-productive Complexes between the A and B Domains of the Cytoplasmic
• J. Mol. Biol. (1990) 214, 811-817 Low Resolution Structure of Interleukin-1P in Solution Derived
• Volume 238, number 2, 289-294 FEB 06334 October 1988 A proton nuclear magnetic resonance study of the conformation of
• Proc. Natl. Acad. Sci. USA Vol. 95, pp. 58915898, May 1998
• Protein Science (1994), 3:15-21. Cambridge University Press. Printed in the USA. Copyright 0 1994The Protein Society
• Journal of Magnetic Resonance 154, 329335 (2002) doi:10.1006/jmre.2001.2489, available online at http://www.idealibrary.com on
• COMMUNICATION Synergistic Inhibition of HIV-1 Envelope-Mediated
• THEJOURNALOF BIOLOGICALCHEMISTRY Pnnted In U.S.A.
• Prooressin NMR Spectroscopy,VoL 23, pp. 43-92, 1991. 0079-6565/91 $0.00+.50 Printed in Great Britain. All rights reserved. 1991PergamonPress plc~
• R-factor, Free R, and Complete Cross-Validation for Dipolar Coupling Refinement of NMR Structures
• Solution Structure of the 30 kDa N-Terminal Domain of Enzyme I of the Escherichia coli Phosphoenolpyruvate:Sugar Phosphotransferase System by
• Amplitudes of Protein Backbone Dynamics and Correlated Motions in a Small R/ Protein: Correspondence of Dipolar Coupling and Heteronuclear Relaxation
• Biochemistry 1989, 28, 508 1-5089 5081 Determination of the Secondary Structure of the DNA Binding Protein Ner from
• Improving the Packing and Accuracy of NMR Structures with a Pseudopotential for the Radius of
• Protein Science (1995), 4:855-862. Cambridge University Press. Printed in the USA Copyright 0 1995 The Protein Society
• A simple and reliable approach to docking proteinprotein complexes from very sparse NOE-derived intermolecular distance restraints
• 4668 Biochemistry 1990, 29, 4668-4682 Determination of the Secondary Structure and Molecular Topology of
• JOURNAL OF MAGNETIC RESONANCE SO,1 19-127 ( 1988) Computer-Aided SequentialAssignmentof Protein `H NMR Spectra
• THEJOURNALOF BIOLOGICALCHEMISTRY Vol. 266, No.11, Issue of April 15, pp. 7306-7311, 1991 Printed in U.S.A.
• Docking of Protein-Protein Complexes on the Basis of Highly Ambiguous Intermolecular Distance Restraints Derived from
• Eur. J. Biochcm. 145,629-636 (1984) ( ' FEBS 1984
• J. Mol. Biol. (1982) 157, 155-160 Conformation of NAD+ Bound to Yeast and Horse Liver
• The EMBO Journal vol.6 no.6 pp.1833-1842, 1987 The polypeptide fold of the globular domain of histone H5 in
• Annu.Rev. Biophys.Biophys. Chem.1991.20.'2943 TWO-, THREE-, AND
• Volume 172, number 2 FEBS 1537 July 1984 Internal mobility in a double-stranded B DNA hexamer and
• The EMBO Journal vol.6 no.2 pp.529-537, 1987 The conformations of hirudin in solution: a study using nuclear
• Biochimica et Biophysica Acta, 634 (1981)129--139 Elsevier/North-Holland Biomedical Press
• Volume 145,number 2 FEBS LETTERS August 1982 Determination of the conformations of cyclic nucleotides bound to the
• Eur. J. Biochem. 145, 359-364 (1984) Yeast tRNAAsp:codon and wobble codon-anticodon interactions
• Protein Science (1994), 3:372-390. Cambridge University Press. Printed in the USA. Copyright 0 1994 The Protein Society
• Solution Structure of the Monovalent Lectin Microvirin in Complex with Man (12)Man Provides a Basis for Anti-HIV
• Practical aspects of 1 H transverse paramagnetic relaxation
• Global jumping and domain-specific intersegment transfer between DNA cognate sites of the
• Supporting Information Fawzi et al. 10.1073/pnas.0909370107
• JOURNAL OF MAGNETIC RESONANCE 78,37 1-375(1988) A Two-Dimensional Nuclear Overhauser Enhancement Experiment
• 2946 Biochemistry 199534, 2946-2955 DNA Binding Specificity of the Mu Ner Proteid
• Determination of the Secondary Structure and Global Topology of the 44 kDa Ectodomain of gp41 of the
• JOURNAL OF MAGNETIC RESONANCE 96,2 15-22 1 ( 1992) A 3D Triple-Resonance NMR Technique for Qualitative
• Volume 238, number 1, 17-21 FEB 06286 September 1988 Long-range lsN-lH correlation as an aid to sequential proton
• 11998 Biochemistry 1995,34, 11998-12004 NMR Spectroscopic Analysis of the DNA Conformation Induced by the Human
• Biochem. J. (1984) 221, 723-736 723 Printed in Great Britain
• Volume 215, number 1, 88-94 FEB 04622 May 1987 A 1H-NMR study of the solution conformation of secretin
• Inorganica ChimicaActa, 46 (1980) II-84 @Elsevier Sequoia S.A., Lausanne -Printed in Switzerland
• Open to closed transition in apo maltose-binding protein visualized by paramagnetic NMR
• Replica exchange simulations of transient encounter complexes in proteinprotein association
• SUPPLEMENTARY INFORMATION 8 Tables and 6 Figures
• Measurement of Residual Dipolar Couplings of Macromolecules Aligned in the Nematic Phase of a
• Accurate and rapid docking of proteinprotein complexes on the basis of intermolecular nuclear
• 3D NMR Experiments for Measuring 15 N Relaxation Data of Large
• 9150 Biochemistry 1992, 31, 9150-9157 Analysis of the Backbone Dynamics of the Ribonuclease H Domain of the Human
• 6744 Biochemistry 1993, 32, 6744-6762 The High-Resolution, Three-Dimensional Solution Structure of Human
• 4334 Biochemistry 1992, 31, 4334-4346 'H, 15N,13C,and 13C0Assignments of Human Interleukin-4 Using
• JOURNAL OF MAGNETIC RESONANCE 952 14-220 ( 199 I) A CommonSenseApproach to Peak Picking in Two-, Three-,
• I. MoZ. Biol. (1991) 221. 1081-1090 Secondary Structure of the Ribonuclease H Domain of the
• JOURNAL OF MAGNETIC RESONANCE 94,209-2 13 ( 199 1) Three-DimensionalTriple-ResonanceNMR of 13C/ 15N-Enriched
• Protein Engineering vol.1 no.4 pp.275-288, 1987 Determination of three-dimensional structures of proteins in solution
• Ensemble Approach for NMR Structure Refinement against 1 Paramagnetic Relaxation Enhancement Data Arising from a
• Sources of and Solutions to Problems in the Refinement of Protein NMR Structures against Torsion Angle Potentials of Mean Force
• J. Mol. Biol. (1992) 223, 8533856 Localization of Bound Water in the Solution Structure of the
• ,J. Mol. Hiol. (1984) 178, 731-742 Stereochemistry of ATP and GTP Bound to
• Role of Electrostatic Interactions in Transient Encounter Complexes in Protein-Protein Association Investigated by Paramagnetic Relaxation
• TROSY-Based z-Exchange Spectroscopy: Application to the Determination of the Activation Energy for Intermolecular
• Biochemistry 1989, 28, 7241-7257 7241 Determination of the Three-Dimensional Solution Structure of the C-Terminal
• Biochemistry 1992, 31, 4347-4353 4347 Determination of the Secondary Structure and Folding Topology of Human
• Volume 292, number 1,2, 25-30 FE!3S 10307 1991 Federation of European Biochemical Societies 00145793/91/S3.50
• Eur. J. Biochem. 141, 119-129 (1984) A nuclear-Overhauser-enhancementstudy of the solution structure
• Biochem. J. (1978) 175, 709-725 Printed in Great Britain
• 4048 Biochemistry 1982, 21, 4048-4053 Odgen, S.,Haggerty, D., Stoner, C. M., Kolodrubetz, D., &
• Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR
• Nature 2006-05-05564 Supplementary Information
• The EMBO Journal Vol.17 No.16 pp.45724584, 1998 Three-dimensional solution structure of the 44 kDa
• 3542 Biochemistry 1990, 29, 3542-3556 Fenton, J. W., 11, Olson, T. A., Zabinski, M. P., & Wilner,
• Solution Structure of the IIAChitobiose -IIBChitobiose
• JOURNAL OF MAGNETIC RESONANCE, Series B 112, 7981 (1996) ARTICLE NO. 0113
• Direct Refinement against ProtonProton Dipolar Couplings in NMR Structure Determination of Macromolecules
• Structural comparisons among the short-chain helical cytokines
• JOURNAL OF MAONETIC RESONANCE 45, 151-161 (1981) Transfer-of-Saturation NMR Studiesof Protein-Ligand Complexes.
• Eur. J. Biochem. 145,365-371 (1984) Glucose-6-phosphate dehydrogenase
• Solution NMR Structure of the Barrier-to-Autointegration Factor-Emerin Complex*
• Solution NMR Structure of the 48-kDa IIAMannose -HPr Complex of
• Protein Science (1998), 72669-2674. Cambridge University Press. Printed in the USA. Copyright 0 1998 The Protein Society
• A Novel Membrane Anchor Function for the N-terminal
• 2188 Biochemistry 1989, 28, 2188-2 198 Determination of the Three-Dimensional Solution Structure of the
• Correlation between 3h JNC and Hydrogen Bond Length in Proteins
• PERSPECTIVE Exploring translocation of proteins on DNA by NMR
• Marius Clore, G: Adventures in Biomolecular
• Atomic resolution dynamics on the surface of amyloid protofibrils probed by solution NMR
• Automated sequence-and stereo-specific assignment of methyl-labeled proteins by paramagnetic relaxation
• A rigid disulfide-linked nitroxide side chain simplifies the quantitative analysis of PRE data
• SUPPLEMENTARY INFORMATION Transient, sparsely-populated compact states of apo and calcium-loaded calmodulin
• No Interaction of Barrier-to-Autointegration Factor (BAF) with HIV-1 MA, Cone-Rod Homeobox (Crx) or MAN1-C in
• 6 "$1 70 ! 890 L M K K F L E NOL F O