7S84

Crystal structure of CDK2 liganded with compound TW8972

Summary for 7S84

Entry DOI	10.2210/pdb7s84/pdb
Descriptor	Cyclin-dependent kinase 2, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid (3 entities in total)
Functional Keywords	allosteric inhibitor, drug development, kinase, cell cycle
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34324.81
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.,Sun, L.,Tang, J.,Roberts, E.,Ganeshkumar, S.,Wang, N.,Rasmussen, D.,Majumdar, A.,Hirsch, L.E.,John, K.,Yang, A.,Khalid, H.,Hawkinson, J.E.,Levinson, N.M.,Chennathukuzhi, V.,Harki, D.A.,Schonbrunn, E.,Georg, G.I. Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14:3213-3213, 2023 Cited by PubMed: 37270540 DOI: 10.1038/s41467-023-38732-x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation