7KHV

CpOGA IN COMPLEX WITH LIGAND 54

7KHV の概要

• エントリーDOI: 10.2210/pdb7khv/pdb
• 分子名称: O-GlcNAcase NagJ, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, CALCIUM ION, ... (6 entities in total)
• 機能のキーワード: glycoside hydrolase, inhibitor, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Clostridium perfringens
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 406206.93

構造登録者

Shaffer, P.L. (登録日: 2020-10-22, 公開日: 2020-12-02, 最終更新日: 2024-04-03)

• 主引用文献: Martinez-Viturro, C.M.,Trabanco, A.A.,Royes, J.,Fernandez, E.,Tresadern, G.,Vega, J.A.,Del Cerro, A.,Delgado, F.,Garcia Molina, A.,Tovar, F.,Shaffer, P.,Ebneth, A.,Bretteville, A.,Mertens, L.,Somers, M.,Alonso, J.M.,Bartolome-Nebreda, J.M.; Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders.; J.Med.Chem., 63:14017-14044, 2020; PubMed: 33197187; DOI: 10.1021/acs.jmedchem.0c01479

実験手法

X-RAY DIFFRACTION (2.3 Å)