4NLD
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Summary for 4NLD
Entry DOI | 10.2210/pdb4nld/pdb |
Descriptor | RNA-directed RNA polymerase, (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, ... (6 entities in total) |
Functional Keywords | ns5b, polymerase, hcv, hepatitis c virus, fingers, palm, thumb, transferase/transferase inhibitor, polymerase/polymerase inhibitor, transferase-transferase inhibitor complex |
Biological source | Hepatitis C virus (HCV) |
Total number of polymer chains | 1 |
Total formula weight | 66010.80 |
Authors | Sheriff, S. (deposition date: 2013-11-14, release date: 2014-03-19, Last modification date: 2024-04-03) |
Primary citation | Gentles, R.G.,Ding, M.,Bender, J.A.,Bergstrom, C.P.,Grant-Young, K.,Hewawasam, P.,Hudyma, T.,Martin, S.,Nickel, A.,Regueiro-Ren, A.,Tu, Y.,Yang, Z.,Yeung, K.S.,Zheng, X.,Chao, S.,Sun, J.H.,Beno, B.R.,Camac, D.M.,Chang, C.H.,Gao, M.,Morin, P.E.,Sheriff, S.,Tredup, J.,Wan, J.,Witmer, M.R.,Xie, D.,Hanumegowda, U.,Knipe, J.,Mosure, K.,Santone, K.S.,Parker, D.D.,Zhuo, X.,Lemm, J.,Liu, M.,Pelosi, L.,Rigat, K.,Voss, S.,Wang, Y.,Wang, Y.K.,Colonno, R.J.,Gao, M.,Roberts, S.B.,Gao, Q.,Ng, A.,Meanwell, N.A.,Kadow, J.F. Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57:1855-1879, 2014 Cited by PubMed: 24397558DOI: 10.1021/jm4016894 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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