Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea

Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea Descriptor: 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... Authors: Graedler, U. Deposit date: 2019-04-02 Release date: 2019-11-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019

与人源亲环蛋白D（Cyclophilin D）和1-(((2R,3S,6R)-3-羟基-2,3,4,6-四氢-1H-2,6-甲烷并苯并[c][1,5]氧氮杂环辛烷-8-基)甲基)-3-(2-((R)-2-(2-(甲硫基)苯基)吡咯烷-1-基)-2-氧代乙基)脲形成的复合物相关数据集
复合物描述：该复合物包含1-(((2R,3S,6R)-3-羟基-2,3,4,6-四氢-1H-2,6-甲烷并苯并[c][1,5]氧氮杂环辛烷-8-基)甲基)-3-(2-((R)-2-(2-(甲硫基)苯基)吡咯烷-1-基)-2-氧代乙基)脲、磷酸根离子以及肽基脯氨酰顺反异构酶F（Peptidyl-prolyl cis-trans isomerase F）等组分。
作者：Graedler, U.
提交日期：2019-04-02
发布日期：2019-11-27
最后修改日期：2024-01-24
解析方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.36埃
引用文献：基于具有毫摩尔级活性的三维片段发现新型亲环蛋白D抑制剂。《Bioorg.Med.Chem.Lett.》，29卷，2019年