6R8W

Human Cyclophilin D in complex with 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide

Summary for 6R8W

• Entry DOI: 10.2210/pdb6r8w/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, HEXAETHYLENE GLYCOL, ... (5 entities in total)
• Functional Keywords: cyclophilin, beta barrel, prolyl cis/trans isomerase, mitoc, isomerase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 18624.25

Authors

Graedler, U. (deposition date: 2019-04-02, release date: 2019-11-27, Last modification date: 2024-01-24)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.4 Å)