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: 31635932 DOI: 10.1016/j.bmcl.2019.126717 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.36 Å)

Structure validation