6R8O

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

6R8O の概要

• エントリーDOI: 10.2210/pdb6r8o/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, TETRAETHYLENE GLYCOL, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: cyclophilin, beta barrel, prolyl cis/trans isomerase, mitoc, isomerase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18534.01

構造登録者

Graedler, U. (登録日: 2019-04-02, 公開日: 2019-11-27, 最終更新日: 2024-01-24)

• 主引用文献: Gradler, U.,Schwarz, D.,Blaesse, M.,Leuthner, B.,Johnson, T.L.,Bernard, F.,Jiang, X.,Marx, A.,Gilardone, M.,Lemoine, H.,Roche, D.,Jorand-Lebrun, C.; Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.; Bioorg.Med.Chem.Lett., 29:126717-126717, 2019; PubMed: 31635932; DOI: 10.1016/j.bmcl.2019.126717

実験手法

X-RAY DIFFRACTION (1.36 Å)