6GJI
Cyclophilin A complexed with the tri-vector ligand 8.
Summary for 6GJI
Entry DOI | 10.2210/pdb6gji/pdb |
Descriptor | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate, GLYCEROL, ... (4 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 | 18474.98 |
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: 30746096DOI: 10.1039/c8sc03831g PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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