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
Summary for 6R8O
Entry DOI | 10.2210/pdb6r8o/pdb |
Descriptor | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, TETRAETHYLENE GLYCOL, SULFATE ION, ... (6 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 | 18534.01 |
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 Cited by PubMed: 31635932DOI: 10.1016/j.bmcl.2019.126717 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.36 Å) |
Structure validation
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