5TA8

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

5TA8 の概要

• エントリーDOI: 10.2210/pdb5ta8/pdb
• 関連するPDBエントリー: 5TA6
• 分子名称: 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)
• 機能のキーワード: plk1 inhibitor, kinase, structure-based drug design, antitumor activity, 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: 41191.92

構造登録者

Skene, R.J.,Hosfield, D.J. (登録日: 2016-09-09, 公開日: 2017-02-22, 最終更新日: 2024-03-06)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.6 Å)