5MHQ

CCT068127 in complex with CDK2

Summary for 5MHQ

Entry DOI	10.2210/pdb5mhq/pdb
Descriptor	Cyclin-dependent kinase 2, (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol (3 entities in total)
Functional Keywords	cell cycle, inhibitor, cdk2, cdk9, cell cycle-inhibitor complex, cell cycle/inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941
Total number of polymer chains	1
Total formula weight	35173.82
Authors	Whittaker, S.R.,Barlow, C.,Martin, M.P.,Mancusi, C.,Wagner, S.,Barrie, E.,te Poele, R.,Sharp, S.,Brown, N.,Wilson, S.,Clarke, P.,Walton, M.I.,MacDonald, E.,Blagg, J.,Noble, M.E.M.,Garrett, M.D.,Workman, P. (deposition date: 2016-11-25, release date: 2017-12-20, Last modification date: 2018-03-14)
Primary citation	Whittaker, S.R.,Barlow, C.,Martin, M.P.,Mancusi, C.,Wagner, S.,Self, A.,Barrie, E.,Te Poele, R.,Sharp, S.,Brown, N.,Wilson, S.,Jackson, W.,Fischer, P.M.,Clarke, P.A.,Walton, M.I.,McDonald, E.,Blagg, J.,Noble, M.,Garrett, M.D.,Workman, P. Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor. Mol Oncol, 12:287-304, 2018 Cited by PubMed: 29063678 DOI: 10.1002/1878-0261.12148 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation