7S85

Crystal structure of CDK2 liganded with compound WN316

Summary for 7S85

Entry DOI	10.2210/pdb7s85/pdb
Descriptor	Cyclin-dependent kinase 2, 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, ... (4 entities in total)
Functional Keywords	allosteric inhibitor, drug development, cyclin dependent kinase, cell cycle
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34464.94
Authors	Sun, L.,Schonbrunn, E. (deposition date: 2021-09-17, release date: 2022-09-28, Last modification date: 2023-10-25)
Primary citation	Faber, E.B.,Wang, N.,John, K.,Sun, L.,Wong, H.L.,Burban, D.,Francis, R.,Tian, D.,Hong, K.H.,Yang, A.,Wang, L.,Elsaid, M.,Khalid, H.,Levinson, N.M.,Schonbrunn, E.,Hawkinson, J.E.,Georg, G.I. Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66:1928-1940, 2023 Cited by PubMed: 36701569 DOI: 10.1021/acs.jmedchem.2c01731 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.98 Å)

Structure validation