6XZ8

Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide

6XZ8 の概要

• エントリーDOI: 10.2210/pdb6xz8/pdb
• 分子名称: Cytochrome P450 11B2, mitochondrial, HEME C, ~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide, ... (4 entities in total)
• 機能のキーワード: cytochrome p450, cyp11b2, aldosterone synthase, oxidoreductase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 171763.77

構造登録者

Kuglstatter, A.,Joseph, C.,Benz, J. (登録日: 2020-02-03, 公開日: 2020-06-24, 最終更新日: 2024-05-01)

• 主引用文献: Liu, Y.,Wu, J.,Zhou, M.,Chen, W.,Li, D.,Wang, Z.,Hornsperger, B.,Aebi, J.D.,Marki, H.P.,Kuhn, B.,Wang, L.,Kuglstatter, A.,Benz, J.,Muller, S.,Hochstrasser, R.,Ottaviani, G.,Xin, J.,Kirchner, S.,Mohr, S.,Verry, P.,Riboulet, W.,Shen, H.C.,Mayweg, A.V.,Amrein, K.,Tan, X.; Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.; J.Med.Chem., 63:6876-6897, 2020; PubMed: 32530624; DOI: 10.1021/acs.jmedchem.0c00233

実験手法

X-RAY DIFFRACTION (3 Å)