6R9S

Human Cyclophilin D in complex with bicyclic fragment

Summary for 6R9S

Entry DOI	10.2210/pdb6r9s/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase F, mitochondrial, (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, ... (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	18599.13
Authors	Graedler, U. (deposition date: 2019-04-04, 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 (2 Å)

Structure validation