2OC0
Structure of NS3 complexed with a ketoamide inhibitor SCh491762
Summary for 2OC0
Entry DOI | 10.2210/pdb2oc0/pdb |
Related | 1A1R 2A4G 2A4Q 2A4R 2F9V 2FM2 |
Descriptor | Hepatitis C Virus, Hepatitis C virus, ZINC ION, ... (6 entities in total) |
Functional Keywords | hepatitis c virus, hcv, ns3 protease domain, ketoamide inhibitor, viral protein |
Biological source | Hepatitis C virus |
Total number of polymer chains | 4 |
Total formula weight | 48010.18 |
Authors | Prongay, A.J.,Guo, Z.,Yao, N.,Fischmann, T.,Strickland, C.,Myers Jr., J.,Weber, P.C.,Malcolm, B.,Beyer, B.M.,Ingram, R.,Pichardo, J.,Hong, Z.,Prosise, W.W.,Ramanathan, L.,Taremi, S.S.,Yarosh-Tomaine, T.,Zhang, R.,Senior, M.,Yang, R.,Arasappan, A.,Bennett, F.,Bogen, S.F.,Chen, K.,Jao, E.,Liu, Y.,Love, R.G.,Saksena, A.K.,Venkatraman, S.,Girijavallabhan, V.,Njoroge, F.G.,Madison, V. (deposition date: 2006-12-20, release date: 2007-07-31, Last modification date: 2023-08-30) |
Primary citation | Prongay, A.J.,Guo, Z.,Yao, N.,Pichardo, J.,Fischmann, T.,Strickland, C.,Myers Jr., J.,Weber, P.C.,Beyer, B.M.,Ingram, R.,Hong, Z.,Prosise, W.W.,Ramanathan, L.,Taremi, S.S.,Yarosh-Tomaine, T.,Zhang, R.,Senior, M.,Yang, R.S.,Malcolm, B.,Arasappan, A.,Bennett, F.,Bogen, S.L.,Chen, K.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Saksena, A.K.,Venkatraman, S.,Girijavallabhan, V.,Njoroge, F.G.,Madison, V. Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50:2310-2318, 2007 Cited by PubMed: 17444623DOI: 10.1021/jm060173k PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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