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: 2019-10-16)
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: 27090615 DOI: 10.1021/acschembio.6b00074 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.03 Å)

Structure validation