5NN0

Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide.

5NN0 の概要

• エントリーDOI: 10.2210/pdb5nn0/pdb
• 分子名称: Cholinesterase, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ... (12 entities in total)
• 機能のキーワード: butyrylcholinesterase ad alzheimer disease inhibitor, 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: 64494.69

構造登録者

Coquelle, N.,Brus, B.,Colletier, J.P. (登録日: 2017-04-07, 公開日: 2018-03-14, 最終更新日: 2020-07-29)

• 主引用文献: Kosak, U.,Brus, B.,Knez, D.,Zakelj, S.,Trontelj, J.,Pislar, A.,Sink, R.,Jukic, M.,Zivin, M.,Podkowa, A.,Nachon, F.,Brazzolotto, X.,Stojan, J.,Kos, J.,Coquelle, N.,Salat, K.,Colletier, J.P.,Gobec, S.; The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.; J. Med. Chem., 61:119-139, 2018; PubMed: 29227101; DOI: 10.1021/acs.jmedchem.7b01086

実験手法

X-RAY DIFFRACTION (2.1 Å)