6W2J

CPS1 bound to allosteric inhibitor H3B-374

6W2J の概要

• エントリーDOI: 10.2210/pdb6w2j/pdb
• 分子名称: Carbamoyl-phosphate synthase [ammonia], mitochondrial, (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, ZINC ION, ... (5 entities in total)
• 機能のキーワード: inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 331286.82

構造登録者

Larsen, N.A.,Nguyen, T.V. (登録日: 2020-03-05, 公開日: 2021-01-13, 最終更新日: 2023-10-18)

• 主引用文献: Rolfe, A.,Yao, S.,Nguyen, T.V.,Omoto, K.,Colombo, F.,Virrankoski, M.,Vaillancourt, F.H.,Yu, L.,Cook, A.,Reynolds, D.,Ioannidis, S.,Zhu, P.,Larsen, N.A.,Bolduc, D.M.; Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.; Acs Med.Chem.Lett., 11:1305-1309, 2020; PubMed: 32551016; DOI: 10.1021/acsmedchemlett.0c00145

実験手法

X-RAY DIFFRACTION (2.62 Å)