Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087)

Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087) Descriptor: (3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... 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 (1.27 Å) Cite: Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published内生座囊菌天冬氨酸蛋白酶（Endothiapepsin）与配体(3R,5R)-3-(2-((甲基(丙基)氨基)甲基)噻唑-4-基)-5-(3-(4-(三氟甲基)苯基)-1,2,4-噁二唑-5-基)吡咯烷-3-醇（CBWS-SE-087）的复合物。描述项：(3R,5R)-3-[2-[[甲基(丙基)氨基]甲基]-1,3-噻唑-4-基]-5-[3-[4-(三氟甲基)苯基]-1,2,4-噁二唑-5-基]吡咯烷-3-醇、乙酸根离子、二甲基亚砜等。作者：Mueller, J.M、Eckelt, S、Klebe, G、Glinca, S。存档日期：2023年7月29日；发布日期：2024年8月7日；最后修改日期：2024年10月23日。实验方法：X射线衍射（1.27 Å）。引用文献：《内生座囊菌天冬氨酸蛋白酶与合并片段命中物衍生配体的晶体结构》（待发表）