5IEV
Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2
Summary for 5IEV
Entry DOI | 10.2210/pdb5iev/pdb |
Descriptor | Cyclin-dependent kinase 2, Roniciclib (3 entities in total) |
Functional Keywords | antineoplastic agents, cyclin-dependent kinases, dose-response relationship, drug, drug discovery, hela cells, neoplasms, protein kinase inhibitors, pyrimidines, structure-activity relationship, structure-kinetics relationship, sulfoxides, biophysical assays, tumor, transferase |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 1 |
Total formula weight | 34406.93 |
Authors | Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.,Lienau, P.,Siemeister, G.,Luecking, U.,Stegmann, C.M. (deposition date: 2016-02-25, release date: 2016-04-27, Last modification date: 2022-10-26) |
Primary citation | Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.C.,Lienau, P.,Siemeister, G.,Luecking, U.,Stegmann, C.M. Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11:1710-1719, 2016 Cited by PubMed: 27090615DOI: 10.1021/acschembio.6b00074 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.03 Å) |
Structure validation
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