3NDM

Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative

3NDM の概要

• エントリーDOI: 10.2210/pdb3ndm/pdb
• 関連するPDBエントリー: 3NCZ
• 分子名称: Rho-Associated Protein Kinase (ROCK1), (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (3 entities in total)
• 機能のキーワード: rho kinase, phosphorylation, dimerization, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: Q13464
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 193255.96

構造登録者

Li, X. (登録日: 2010-06-07, 公開日: 2010-12-08, 最終更新日: 2024-02-21)

• 主引用文献: Bosanac, T.,Hickey, E.R.,Ginn, J.,Kashem, M.,Kerr, S.,Kugler, S.,Li, X.,Olague, A.,Schlyer, S.,Young, E.R.; Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.; Bioorg.Med.Chem.Lett., 20:3746-3749, 2010; PubMed: 20471253; DOI: 10.1016/j.bmcl.2010.04.069

実験手法

X-RAY DIFFRACTION (3.3 Å)