8Q4B

Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1)

8Q4B の概要

• エントリーDOI: 10.2210/pdb8q4b/pdb
• 分子名称: Endothiapepsin, (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ... (7 entities in total)
• 機能のキーワード: endothiapepsin, ligand complex, hydrolase
• 由来する生物種: Cryphonectria parasitica (chestnut blight fungus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34935.26

構造登録者

Mueller, J.M.,Eckelt, S.,Klebe, G.,Glinca, S. (登録日: 2023-08-05, 公開日: 2024-08-14)

• 主引用文献: Mueller, J.M.; Crystal structures of Endothiapepsin with ligands derived from merged fragment hits; To Be Published,

実験手法

X-RAY DIFFRACTION (1.28 Å)