6GJN

Cyclophilin A complexed with tri-vector ligand 15.

Summary for 6GJN

Entry DOI	10.2210/pdb6gjn/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase A, 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea, FORMIC ACID, ... (5 entities in total)
Functional Keywords	cyclophilins, cypa, inhibitor, ppiase, complex, isomerase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	18748.07
Authors	Georgiou, C.,De Simone, A.,Walkinshaw, M.D.,Michel, J. (deposition date: 2018-05-16, release date: 2018-11-07, Last modification date: 2024-01-17)
Primary citation	De Simone, A.,Georgiou, C.,Ioannidis, H.,Gupta, A.A.,Juarez-Jimenez, J.,Doughty-Shenton, D.,Blackburn, E.A.,Wear, M.A.,Richards, J.P.,Barlow, P.N.,Carragher, N.,Walkinshaw, M.D.,Hulme, A.N.,Michel, J. A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10:542-547, 2019 Cited by PubMed: 30746096 DOI: 10.1039/c8sc03831g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation