7TGU

Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1

Summary for 7TGU

• Entry DOI: 10.2210/pdb7tgu/pdb
• Related: 7TGS 7TGT
• Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-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: peptidyl-prolyl isomerase, oxidative stress, necrosis, mitochondrial permeability, isomerase, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 18550.18

Authors

Rangwala, A.M.,Thakur, M.K.,Seeliger, M.A.,Peterson, A.A.,Liu, D.R. (deposition date: 2022-01-09, 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; PubMed: 36163383; DOI: 10.1038/s41589-022-01116-1

Experimental method

X-RAY DIFFRACTION (1.21 Å)