7TH1

Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B3

Summary for 7TH1

Entry DOI	10.2210/pdb7th1/pdb
Related	7TGS 7TGT 7TGU 7TGV
Descriptor	Peptidyl-prolyl cis-trans isomerase F, mitochondrial, (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide (3 entities in total)
Functional Keywords	oxidative stress, necrosis, mitochondrial permeability, isomerase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	18574.21
Authors	Rangwala, A.M.,Thakur, M.K.,Seeliger, M.A.,Peterson, A.A.,Liu, D.R. (deposition date: 2022-01-10, release date: 2022-08-24, Last modification date: 2023-10-18)
Primary citation	Peterson, A.A.,Rangwala, A.M.,Thakur, M.K.,Ward, P.S.,Hung, C.,Outhwaite, I.R.,Chan, A.I.,Usanov, D.L.,Mootha, V.K.,Seeliger, M.A.,Liu, D.R. Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18:1184-1195, 2022 Cited by PubMed: 36163383 DOI: 10.1038/s41589-022-01116-1 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.52 Å)

Structure validation