5TA8

Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor

Summary for 5TA8

• Entry DOI: 10.2210/pdb5ta8/pdb
• Related: 5TA6
• Descriptor: Serine/threonine-protein kinase PLK1, ZINC ION, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ... (4 entities in total)
• Functional Keywords: plk1 inhibitor, kinase, structure-based drug design, antitumor activity, 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: 41191.92

Authors

Skene, R.J.,Hosfield, D.J. (deposition date: 2016-09-09, release date: 2017-02-22, Last modification date: 2024-03-06)

• Primary citation: Kiryanov, A.,Natala, S.,Jones, B.,McBride, C.,Feher, V.,Lam, B.,Liu, Y.,Honda, K.,Uchiyama, N.,Kawamoto, T.,Hikichi, Y.,Zhang, L.,Hosfield, D.,Skene, R.,Zou, H.,Stafford, J.,Cao, X.,Ichikawa, T.; Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.; Bioorg. Med. Chem. Lett., 27:1311-1315, 2017; PubMed: 28169164; DOI: 10.1016/j.bmcl.2016.10.009

Experimental method

X-RAY DIFFRACTION (2.6 Å)