6QAA

Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide

6QAA の概要

• エントリーDOI: 10.2210/pdb6qaa/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, inhibitor, complex, 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: 66690.43

構造登録者

Brazzolotto, X.,Nachon, F.,Harst, M.,Knez, D.,Gobec, S. (登録日: 2018-12-19, 公開日: 2019-03-27, 最終更新日: 2024-11-06)

主引用文献

Meden, A.,Knez, D.,Jukic, M.,Brazzolotto, X.,Grsic, M.,Pislar, A.,Zahirovic, A.,Kos, J.,Nachon, F.,Svete, J.,Gobec, S.,Groselj, U.
Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55:3765-3768, 2019

PubMed Abstract: We have identified tryptophan-based selective nanomolar butyrylcholinesterase (BChE) inhibitors. They are defined according to their chemical modularity, novel binding mode revealed by five solved crystal structures with human BChE, low cytotoxicity, and predicted permeability of the blood-brain barrier. Altogether, these factors indicate their potential as unique lead compounds for symptomatic therapy against Alzheimer's disease.

PubMed: 30864579
DOI: 10.1039/c9cc01330j

実験手法

X-RAY DIFFRACTION (1.897 Å)