4J52

Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor

Summary for 4J52

• Entry DOI: 10.2210/pdb4j52/pdb
• Related: 4J53
• Descriptor: Serine/threonine-protein kinase PLK1, 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: protein serine/threonine kinase, mitosis, oncogenesis, regulation of cell cycle, kinase domain, atp binding, nuclear, 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: 34429.48

Authors

Hosfield, D.J.,Skene, R.J. (deposition date: 2013-02-07, release date: 2013-05-29, Last modification date: 2024-02-28)

• Primary citation: Nie, Z.,Feher, V.,Natala, S.,McBride, C.,Kiryanov, A.,Jones, B.,Lam, B.,Liu, Y.,Kaldor, S.,Stafford, J.,Hikami, K.,Uchiyama, N.,Kawamoto, T.,Hikichi, Y.,Matsumoto, S.,Amano, N.,Zhang, L.,Hosfield, D.,Skene, R.,Zou, H.,Cao, X.,Ichikawa, T.; Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).; Bioorg.Med.Chem.Lett., 23:3662-3666, 2013; PubMed: 23664874; DOI: 10.1016/j.bmcl.2013.02.083

Experimental method

X-RAY DIFFRACTION (2.3 Å)