5T9U
Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A
Summary for 5T9U
Entry DOI | 10.2210/pdb5t9u/pdb |
Related | 5T9W 5T9Z 5TA2 5TA4 |
Related PRD ID | PRD_002251 |
Descriptor | Peptidyl-prolyl cis-trans isomerase A, 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone (3 entities in total) |
Functional Keywords | cyclophilin inhibitor antiviral hcv, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm : P62937 |
Total number of polymer chains | 4 |
Total formula weight | 74200.69 |
Authors | Appleby, T.C.,Steadman, V.,Pettit, S.,Schmitz, U.,Mackman, R.L.,Schultz, B. (deposition date: 2016-09-09, release date: 2017-01-25, Last modification date: 2024-03-06) |
Primary citation | Steadman, V.A.,Pettit, S.B.,Poullennec, K.G.,Lazarides, L.,Keats, A.J.,Dean, D.K.,Stanway, S.J.,Austin, C.A.,Sanvoisin, J.A.,Watt, G.M.,Fliri, H.G.,Liclican, A.C.,Jin, D.,Wong, M.H.,Leavitt, S.A.,Lee, Y.J.,Tian, Y.,Frey, C.R.,Appleby, T.C.,Schmitz, U.,Jansa, P.,Mackman, R.L.,Schultz, B.E. Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A. J. Med. Chem., 60:1000-1017, 2017 Cited by PubMed: 28075591DOI: 10.1021/acs.jmedchem.6b01329 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.301 Å) |
Structure validation
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