3THB

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

3THB の概要

• エントリーDOI: 10.2210/pdb3thb/pdb
• 分子名称: 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)
• 機能のキーワード: kinase domain, 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: 37999.03

構造登録者

Sintchak, M.D. (登録日: 2011-08-18, 公開日: 2011-11-23, 最終更新日: 2023-09-13)

• 主引用文献: 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; PubMed: 22070629; DOI: 10.1021/jm2011172

実験手法

X-RAY DIFFRACTION (2.5 Å)