8K5R

CDK9/cyclin T1 in complex with KB-0742

Summary for 8K5R

Entry DOI	10.2210/pdb8k5r/pdb
Descriptor	Cyclin-dependent kinase 9, Cyclin-T1, (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (3 entities in total)
Functional Keywords	kb-0742, cdk9/cyclin t1, cdk9, cyclin t1, transcription
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	68382.80
Authors	Zhou, M.,Li, H.,Gao, H.,Trotter, B.W.,Freeman, D. (deposition date: 2023-07-24, release date: 2023-12-06, Last modification date: 2023-12-27)
Primary citation	Freeman, D.B.,Hopkins, T.D.,Mikochik, P.J.,Vacca, J.P.,Gao, H.,Naylor-Olsen, A.,Rudra, S.,Li, H.,Pop, M.S.,Villagomez, R.A.,Lee, C.,Li, H.,Zhou, M.,Saffran, D.C.,Rioux, N.,Hood, T.R.,Day, M.A.L.,McKeown, M.R.,Lin, C.Y.,Bischofberger, N.,Trotter, B.W. Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers. J.Med.Chem., 66:15629-15647, 2023 Cited by PubMed: 37967851 DOI: 10.1021/acs.jmedchem.3c01233 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.751 Å)

Structure validation