8AI7

Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate

8AI7 の概要

• エントリーDOI: 10.2210/pdb8ai7/pdb
• 分子名称: Cholinesterase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• 機能のキーワード: butyrylcholinesterase, complex, inhibitor, carbamate, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 63127.75

構造登録者

Brazzolotto, X.,Meden, A.,Knez, D.,Gobec, S.,Nachon, F. (登録日: 2022-07-25, 公開日: 2023-02-01, 最終更新日: 2024-02-07)

• 主引用文献: Meden, A.,Knez, D.,Brazzolotto, X.,Modeste, F.,Perdih, A.,Pislar, A.,Zorman, M.,Zorovic, M.,Denic, M.,Pajk, S.,Zivin, M.,Nachon, F.,Gobec, S.; Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.; Eur.J.Med.Chem., 247:115048-115048, 2023; PubMed: 36586299; DOI: 10.1016/j.ejmech.2022.115048

実験手法

X-RAY DIFFRACTION (2.13 Å)