Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-146.2)
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Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-146.2) Descriptor: (3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... Authors: Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. Deposit date: 2023-07-29 Release date: 2024-08-07 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
与配体(3R,5R)-5-(3-(2-氨基苯基)-1,2,4-噁二唑-5-基)-3-(2-((甲基(丙-2-炔-1-基)氨基)甲基)噻唑-4-基)吡咯烷-3-醇（CBWS-SE-146.2）结合的内生座囊菌天冬氨酸蛋白酶（Endothiapepsin）。描述内容：(3R,5R)-5-[3-(2-氨基苯基)-1,2,4-噁二唑-5-基]-3-[2-[[甲基(丙炔基)氨基]甲基]-1,3-噻唑-4-基]吡咯烷-3-醇、(4S)-2-甲基-2,4-戊二醇、乙酸根离子等。作者：Mueller J.M.、Eckelt S.、Klebe G.、Glinca S.。沉积日期：2023-07-29；发布日期：2024-08-07；最后修改日期：2024-10-23。实验方法：X射线衍射（分辨率1.17 Å）。引用文献：《基于合并片段命中物的内生座囊菌天冬氨酸蛋白酶配体晶体结构》（待发表）
