Crystal structure of the CDK11 kinase domain bound to the small-molecule inhibitor OTS964

Kelso, Susan; O?Brien, Siobhan; Kurinov, Igor; Angers, Stephane; Sicheri, Frank

doi:10.1016/j.str.2022.10.003

Title: Crystal structure of the CDK11 kinase domain bound to the small-molecule inhibitor OTS964

Journal Article · 01 December 2022 · Structure

DOI:https://doi.org/10.1016/j.str.2022.10.003· OSTI ID:1902375

Kelso, Susan; O?Brien, Siobhan; Kurinov, Igor; Angers, Stephane; Sicheri, Frank

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; National Institutes of Health (NIH); OTHER

OSTI ID:: 1902375

Journal Information:: Structure, Vol. 30, Issue (12)

Country of Publication:: United States

Language:: ENGLISH

References (37)

The Phenix software for automated determination of macromolecular structures Adams, Paul D.; Afonine, Pavel V.; Bunkóczi, Gábor Methods, Vol. 55, Issue 1 https://doi.org/10.1016/j.ymeth.2011.07.005	journal	September 2011
CDK11 Loss Induces Cell Cycle Dysfunction and Death of BRAF and NRAS Melanoma Cells Ahmed, Rehana L.; Shaughnessy, Daniel P.; Knutson, Todd P. Pharmaceuticals, Vol. 12, Issue 2 https://doi.org/10.3390/ph12020050	journal	April 2019
Type II Inhibitors Targeting CDK2 Alexander, Leila T.; Möbitz, Henrik; Drueckes, Peter ACS Chemical Biology, Vol. 10, Issue 9 https://doi.org/10.1021/acschembio.5b00398	journal	July 2015
The history and future of targeting cyclin-dependent kinases in cancer therapy Asghar, Uzma; Witkiewicz, Agnieszka K.; Turner, Nicholas C. Nature Reviews Drug Discovery, Vol. 14, Issue 2 https://doi.org/10.1038/nrd4504	journal	January 2015
Dopamine and Glutamate Induce Distinct Striatal Splice Forms of Ania-6, an RNA Polymerase II-Associated Cyclin Berke, Joshua D.; Sgambato, Véronique; Zhu, Peng-Peng Neuron, Vol. 32, Issue 2 https://doi.org/10.1016/S0896-6273(01)00465-2	journal	October 2001
Discovery of a Potential Allosteric Ligand Binding Site in CDK2 Betzi, Stephane; Alam, Riazul; Martin, Mathew ACS Chemical Biology, Vol. 6, Issue 5 https://doi.org/10.1021/cb100410m	journal	February 2011
Inhibiting CDK4/6 in Breast Cancer with Palbociclib, Ribociclib, and Abemaciclib: Similarities and Differences Braal, C. Louwrens; Jongbloed, Elisabeth M.; Wilting, Saskia M. Drugs, Vol. 81, Issue 3 https://doi.org/10.1007/s40265-020-01461-2	journal	December 2020
Easy quantitative assessment of genome editing by sequence trace decomposition Brinkman, Eva K.; Chen, Tao; Amendola, Mario Nucleic Acids Research, Vol. 42, Issue 22 https://doi.org/10.1093/nar/gku936	journal	October 2014
The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases Brown, Nick R.; Noble, Martin E. M.; Endicott, Jane A. Nature Cell Biology, Vol. 1, Issue 7 https://doi.org/10.1038/15674	journal	October 1999
Identification and Characterization of a Novel Cell Cycle–Regulated Internal Ribosome Entry Site Cornelis, Sigrid; Bruynooghe, Yanik; Denecker, Geertrui Molecular Cell, Vol. 5, Issue 4 https://doi.org/10.1016/S1097-2765(00)80239-7	journal	April 2000
Cyclin L Is an RS Domain Protein Involved in Pre-mRNA Splicing Dickinson, Liliane A.; Edgar, Alasdair J.; Ehley, Jennifer Journal of Biological Chemistry, Vol. 277, Issue 28 https://doi.org/10.1074/jbc.M202266200	journal	July 2002
CDK11^p110 plays a critical role in the tumorigenicity of esophageal squamous cell carcinoma cells and is a potential drug target Du, Yue; Yan, Dan; Yuan, Yongliang Cell Cycle, Vol. 18, Issue 4 https://doi.org/10.1080/15384101.2019.1577665	journal	February 2019
Features and development of Coot Emsley, P.; Lohkamp, B.; Scott, W. G. Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 4 https://doi.org/10.1107/S0907444910007493	journal	March 2010
Kinase inhibitors: the road ahead Ferguson, Fleur M.; Gray, Nathanael S. Nature Reviews Drug Discovery, Vol. 17, Issue 5 https://doi.org/10.1038/nrd.2018.21	journal	March 2018
Duplication of a Genomic Region Containing the Cdc2L1-2 and MMP21-22 Genes on Human Chromosome 1p36.3 and their Linkage to D1Z2 Gururajan, Rajagopal; Lahti, Jill M.; Grenet, Jose Genome Research, Vol. 8, Issue 9 https://doi.org/10.1101/gr.8.9.929	journal	September 1998
XDS Kabsch, Wolfgang Acta Crystallographica Section D Biological Crystallography, Vol. 66, Issue 2 https://doi.org/10.1107/S0907444909047337	journal	January 2010
Synthesis and Structure–Activity relationships of cyclin-dependent kinase 11 inhibitors based on a diaminothiazole scaffold Li, Zhengnian; Ishida, Ryosuke; Liu, Yan European Journal of Medicinal Chemistry, Vol. 238 https://doi.org/10.1016/j.ejmech.2022.114433	journal	August 2022
Off-target toxicity is a common mechanism of action of cancer drugs undergoing clinical trials Lin, Ann; Giuliano, Christopher J.; Palladino, Ann Science Translational Medicine, Vol. 11, Issue 509 https://doi.org/10.1126/scitranslmed.aaw8412	journal	September 2019
Cyclin-Dependent Kinase 11 (CDK11) Is Required for Ovarian Cancer Cell Growth In Vitro and In Vivo, and Its Inhibition Causes Apoptosis and Sensitizes Cells to Paclitaxel Liu, Xianzhe; Gao, Yan; Shen, Jacson Molecular Cancer Therapeutics, Vol. 15, Issue 7 https://doi.org/10.1158/1535-7163.MCT-16-0032	journal	July 2016
Cyclin-dependent kinases Malumbres, Marcos Genome Biology, Vol. 15, Issue 6 https://doi.org/10.1186/gb4184	journal	January 2014
Cyclin-dependent kinases: a family portrait Malumbres, Marcos; Harlow, Edward; Hunt, Tim Nature Cell Biology, Vol. 11, Issue 11 https://doi.org/10.1038/ncb1109-1275	journal	November 2009
Structure-based discovery of cyclin-dependent protein kinase inhibitors Martin, Mathew P.; Endicott, Jane A.; Noble, Martin E. M. Essays in Biochemistry, Vol. 61, Issue 5 https://doi.org/10.1042/EBC20170040	journal	November 2017
TOPK inhibitor induces complete tumor regression in xenograft models of human cancer through inhibition of cytokinesis Matsuo, Yo; Park, Jae-Hyun; Miyamoto, Takashi Science Translational Medicine, Vol. 6, Issue 259 https://doi.org/10.1126/scitranslmed.3010277	journal	October 2014
Phaser crystallographic software McCoy, Airlie J.; Grosse-Kunstleve, Ralf W.; Adams, Paul D. Journal of Applied Crystallography, Vol. 40, Issue 4 https://doi.org/10.1107/S0021889807021206	journal	July 2007
Collaboration gets the most out of software Morin, Andrew; Eisenbraun, Ben; Key, Jason eLife, Vol. 2 https://doi.org/10.7554/eLife.01456	journal	September 2013
UCSF Chimera?A visualization system for exploratory research and analysis Pettersen, Eric F.; Goddard, Thomas D.; Huang, Conrad C. Journal of Computational Chemistry, Vol. 25, Issue 13 https://doi.org/10.1002/jcc.20084	journal	January 2004
Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity Pratt, David J.; Bentley, Jo; Jewsbury, Philip Journal of Medicinal Chemistry, Vol. 49, Issue 18 https://doi.org/10.1021/jm060216x	journal	August 2006
High-Resolution Crystal Structures of Human Cyclin-Dependent Kinase 2 with and without ATP: Bound Waters and Natural Ligand as Guides for Inhibitor Design ^† Schulze-Gahmen, Ursula; De Bondt, Hendrik L.; Kim, Sung-Hou Journal of Medicinal Chemistry, Vol. 39, Issue 23 https://doi.org/10.1021/jm960402a	journal	January 1996
Fast, scalable generation of high‐quality protein multiple sequence alignments using Clustal Omega Sievers, Fabian; Wilm, Andreas; Dineen, David Molecular Systems Biology, Vol. 7, Issue 1 https://doi.org/10.1038/msb.2011.75	journal	January 2011
Cyclin-Dependent Kinase 2 Inhibitors in Cancer Therapy: An Update Tadesse, Solomon; Caldon, Elizabeth C.; Tilley, Wayne Journal of Medicinal Chemistry, Vol. 62, Issue 9 https://doi.org/10.1021/acs.jmedchem.8b01469	journal	December 2018
Jalview Version 2--a multiple sequence alignment editor and analysis workbench Waterhouse, A. M.; Procter, J. B.; Martin, D. M. A. Bioinformatics, Vol. 25, Issue 9 https://doi.org/10.1093/bioinformatics/btp033	journal	January 2009
SWISS-MODEL: homology modelling of protein structures and complexes Waterhouse, Andrew; Bertoni, Martino; Bienert, Stefan Nucleic Acids Research, Vol. 46, Issue W1 https://doi.org/10.1093/nar/gky427	journal	May 2018
Quantifying CDK inhibitor selectivity in live cells Wells, Carrow I.; Vasta, James D.; Corona, Cesear R. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16559-0	journal	June 2020
Structural insights into the functional diversity of the CDK–cyclin family Wood, Daniel J.; Endicott, Jane A. Open Biology, Vol. 8, Issue 9 https://doi.org/10.1098/rsob.180112	journal	September 2018
Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition Wood, Daniel J.; Korolchuk, Svitlana; Tatum, Natalie J. Cell Chemical Biology, Vol. 26, Issue 1 https://doi.org/10.1016/j.chembiol.2018.10.015	journal	January 2019
Interaction of p58PITSLRE, a G2/M-specific Protein Kinase, with Cyclin D3 Zhang, Songwen; Cai, Mingmei; Zhang, Si Journal of Biological Chemistry, Vol. 277, Issue 38 https://doi.org/10.1074/jbc.M202179200	journal	September 2002
The emerging roles and therapeutic potential of cyclin-dependent kinase 11 (CDK11) in human cancer Zhou, Yubing; Shen, Jacson K.; Hornicek, Francis J. Oncotarget, Vol. 7, Issue 26 https://doi.org/10.18632/oncotarget.8519	journal	March 2016

Similar Records

Crystal Structures of the Kinase Domain of c-Abl in Complex withthe Small Molecule Inhibitors PD173955 and Imatinib (STI-571)

Journal Article · 2002 · Cancer Research · OSTI ID:1902375

Nagar, Bhushan; Bornmann, William G; Pellicena, Patricia; +5 more

Crystal structures of apo and inhibitor-bound TGFβR2 kinase domain: insights into TGFβR isoform selectivity

Journal Article · 2016 · Acta Crystallographica. Section D. Structural Biology · OSTI ID:1902375

Tebben, Andrew J.; Ruzanov, Maxim; Gao, Mian; +9 more

Insights into the Inhibition of the p90 Ribosomal S6 Kinase (RSK) by the Flavonol Glycoside SL0101 from the 1.5 Å Crystal Structure of the N-Terminal Domain of RSK2 with Bound Inhibitor

Journal Article · 2012 · Biochemistry · OSTI ID:1902375

Utepbergenov, Darkhan; Derewenda, Urszula; Olekhnovich, Natalya; +6 more

Title: Crystal structure of the CDK11 kinase domain bound to the small-molecule inhibitor OTS964

Citation Formats

References (37)

Similar Records

Related Subjects