3THB

Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor

Summary for 3THB

Entry DOI	10.2210/pdb3thb/pdb
Descriptor	Serine/threonine-protein kinase PLK1, ZINC ION, 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one (3 entities in total)
Functional Keywords	kinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus: P53350
Total number of polymer chains	1
Total formula weight	37999.03
Authors	Sintchak, M.D. (deposition date: 2011-08-18, release date: 2011-11-23, Last modification date: 2023-09-13)
Primary citation	Duffey, M.O.,Vos, T.J.,Adams, R.,Alley, J.,Anthony, J.,Barrett, C.,Bharathan, I.,Bowman, D.,Bump, N.J.,Chau, R.,Cullis, C.,Driscoll, D.L.,Elder, A.,Forsyth, N.,Frazer, J.,Guo, J.,Guo, L.,Hyer, M.L.,Janowick, D.,Kulkarni, B.,Lai, S.J.,Lasky, K.,Li, G.,Li, J.,Liao, D.,Little, J.,Peng, B.,Qian, M.G.,Reynolds, D.J.,Rezaei, M.,Scott, M.P.,Sells, T.B.,Shinde, V.,Shi, Q.J.,Sintchak, M.D.,Soucy, F.,Sprott, K.T.,Stroud, S.G.,Nestor, M.,Visiers, I.,Weatherhead, G.,Ye, Y.,D'Amore, N. Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905). J.Med.Chem., 55:197-208, 2012 Cited by PubMed: 22070629 DOI: 10.1021/jm2011172 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation