6TT0

Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor

6TT0 の概要

• エントリーDOI: 10.2210/pdb6tt0/pdb
• 分子名称: Acetylcholinesterase, (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (4 entities in total)
• 機能のキーワード: dual binding site inhibitor, chiral separation, acetylcholinesterase, alzheimer's disease, hydrolase
• 由来する生物種: Tetronarce californica (Pacific electric ray)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 66194.51

構造登録者

de la Mora, E.,Mangiatordi, G.F.,Belviso, B.D.,Caliandro, R.,Colletier, J.P.,Catto, M. (登録日: 2019-12-22, 公開日: 2020-06-10, 最終更新日: 2024-01-24)

• 主引用文献: Catto, M.,Pisani, L.,de la Mora, E.,Belviso, B.D.,Mangiatordi, G.F.,Pinto, A.,Palma, A.,Denora, N.,Caliandro, R.,Colletier, J.P.,Silman, I.,Nicolotti, O.,Altomare, C.D.; Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.; Acs Med.Chem.Lett., 11:869-876, 2020; PubMed: 32435398; DOI: 10.1021/acsmedchemlett.9b00656

実験手法

X-RAY DIFFRACTION (2.80003021833 Å)