5IEX
Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2
Summary for 5IEX
Entry DOI | 10.2210/pdb5iex/pdb |
Descriptor | Cyclin-dependent kinase 2, (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol (3 entities in total) |
Functional Keywords | antineoplastic agents, cyclin-dependent kinases, dose-response relationship, drug, drug discovery, hela cells, molecular structure, neoplasms, protein kinase inhibitors, pyrimidines, structure-activity relationship, structure-kinetics relationship, sulfoxides, biophysical assays, tumor, humans, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 34417.83 |
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: 2024-05-08) |
Primary citation | Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.C.,Lienau, P.,Siemeister, G.,Lucking, 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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