3TYV
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Summary for 3TYV
Entry DOI | 10.2210/pdb3tyv/pdb |
Related | 3TYQ |
Descriptor | RNA-directed RNA polymerase, PHOSPHATE ION, N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, ... (4 entities in total) |
Functional Keywords | rna-dependent rna polymerase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Hepatitis C virus (HCV) |
Cellular location | Core protein p21: Host endoplasmic reticulum membrane ; Single-pass membrane protein . Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Non-structural protein 5A: Host endoplasmic reticulum membrane ; Peripheral membrane protein . RNA-directed RNA polymerase: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein : O92972 |
Total number of polymer chains | 2 |
Total formula weight | 129509.14 |
Authors | Lesburg, C.A.,Chen, K.X. (deposition date: 2011-09-26, release date: 2012-02-01, Last modification date: 2024-03-06) |
Primary citation | Chen, K.X.,Vibulbhan, B.,Yang, W.,Sannigrahi, M.,Velazquez, F.,Chan, T.Y.,Venkatraman, S.,Anilkumar, G.N.,Zeng, Q.,Bennet, F.,Jiang, Y.,Lesburg, C.A.,Duca, J.,Pinto, P.,Gavalas, S.,Huang, Y.,Wu, W.,Selyutin, O.,Agrawal, S.,Feld, B.,Huang, H.C.,Li, C.,Cheng, K.C.,Shih, N.Y.,Kozlowski, J.A.,Rosenblum, S.B.,Njoroge, F.G. Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase. J.Med.Chem., 55:754-765, 2012 Cited by PubMed: 22148957DOI: 10.1021/jm201258k PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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