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; PubMed: 28075591; DOI: 10.1021/acs.jmedchem.6b01329

Experimental method

X-RAY DIFFRACTION (2.301 Å)