4J52

Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor

4J52 の概要

• エントリーDOI: 10.2210/pdb4j52/pdb
• 関連するPDBエントリー: 4J53
• 分子名称: 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)
• 機能のキーワード: protein serine/threonine kinase, mitosis, oncogenesis, regulation of cell cycle, kinase domain, atp binding, nuclear, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P53350
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34429.48

構造登録者

Hosfield, D.J.,Skene, R.J. (登録日: 2013-02-07, 公開日: 2013-05-29, 最終更新日: 2024-02-28)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.3 Å)