6R8L

Human Cyclophilin D in complex with 1-((1S,9S,10S)-10-Hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ylmethyl)-3- {2-[(R)-2-(2-methylsulfanyl-phenyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-urea

Summary for 6R8L

Entry DOI	10.2210/pdb6r8l/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase F, mitochondrial, 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea (3 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	18148.75
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 (1.64 Å)

Structure validation