7N3U

Crystal structure of human WEE1 kinase domain in complex with ZN-c3

Summary for 7N3U

Entry DOI	10.2210/pdb7n3u/pdb
Descriptor	Wee1-like protein kinase, 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one (3 entities in total)
Functional Keywords	phosphotransferase, protein kinase-like, alpha and beta proteins (a+b), cell division, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	32695.27
Authors	Lee, C.C. (deposition date: 2021-06-02, release date: 2021-09-01, Last modification date: 2023-10-18)
Primary citation	Huang, P.Q.,Boren, B.C.,Hegde, S.G.,Liu, H.,Unni, A.K.,Abraham, S.,Hopkins, C.D.,Paliwal, S.,Samatar, A.A.,Li, J.,Bunker, K.D. Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer. J.Med.Chem., 64:13004-13024, 2021 Cited by PubMed: 34423975 DOI: 10.1021/acs.jmedchem.1c01121 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.65 Å)

Structure validation