Title The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Journal, issue, pages Plos Pathog. , Vol. 8, Page e1002832-e1002832, Year 2012Publish date Jul 11, 2011 (structure data deposition date) AuthorsRomano, K.P. / Ali, A. / Aydin, C. / Soumana, D. / Ozen, A. / Deveau, L.M. / Silver, C. / Cao, H. / Newton, A. / Petropoulos, C.J. ...Romano, K.P. / Ali, A. / Aydin, C. / Soumana, D. / Ozen, A. / Deveau, L.M. / Silver, C. / Cao, H. / Newton, A. / Petropoulos, C.J. / Huang, W. / Schiffer, C.A. External links Plos Pathog. / PubMed:22910833Methods X-ray diffraction Resolution 1.1 - 2.5 Å Structure data PDB-3su0 : Structure viewer Crystal structure of NS3/4A protease variant R155K in complex with danoprevir Method : X-RAY DIFFRACTION / Resolution : 1.159 Å
PDB-3su1 : Structure viewer Crystal structure of NS3/4A protease variant D168A in complex with danoprevir Method : X-RAY DIFFRACTION / Resolution : 1.399 Å
PDB-3su2 : Structure viewer Crystal structure of NS3/4A protease variant A156T in complex with danoprevir Method : X-RAY DIFFRACTION / Resolution : 1.496 Å
PDB-3su3 : Structure viewer Crystal structure of NS3/4A protease in complex with vaniprevir Method : X-RAY DIFFRACTION / Resolution : 1.3 Å
PDB-3su4 : Structure viewer Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir Method : X-RAY DIFFRACTION / Resolution : 2.255 Å
PDB-3su5 : Structure viewer Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir Method : X-RAY DIFFRACTION / Resolution : 1.55 Å
PDB-3su6 : Structure viewer Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir Method : X-RAY DIFFRACTION / Resolution : 1.1 Å
PDB-3sud : Structure viewer Crystal structure of NS3/4A protease in complex with MK-5172 Method : X-RAY DIFFRACTION / Resolution : 1.96 Å
PDB-3sue : Structure viewer Crystal structure of NS3/4A protease variant R155K in complex with MK-5172 Method : X-RAY DIFFRACTION / Resolution : 2.2 Å
PDB-3suf : Structure viewer Crystal structure of NS3/4A protease variant D168A in complex with MK-5172 Method : X-RAY DIFFRACTION / Resolution : 2.19 Å
PDB-3sug : Structure viewer Crystal structure of NS3/4A protease variant A156T in complex with MK-5172 Method : X-RAY DIFFRACTION / Resolution : 1.8 Å
PDB-3sv6 : Structure viewer Crystal structure of NS3/4A protease in complex with Telaprevir Method : X-RAY DIFFRACTION / Resolution : 1.4 Å
PDB-3sv7 : Structure viewer Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir Method : X-RAY DIFFRACTION / Resolution : 1.55 Å
PDB-3sv8 : Structure viewer Crystal structure of NS3/4A protease variant D168A in complex with Telaprevir Method : X-RAY DIFFRACTION / Resolution : 2.5 Å
PDB-3sv9 : Structure viewer Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir Method : X-RAY DIFFRACTION / Resolution : 1.6 Å
Chemicals ChemComp-TSV : Structure viewer (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 / inhibitor*YM
ChemComp-SU3 : Structure viewer (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide / protease inhibitor*YM
ChemComp-SUE : Structure viewer (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di / protease inhibitor*YM
ChemComp-SV6 : Structure viewer (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide / antivirus, protease inhibitor*YM
Source hepatitis c virus subtype 1a hepatitis c virus Keywords HYDROLASE/HYDROLASE INHIBITOR / NS3 / drug resistance / drug design / Protease inhibitors / HCV / serine protease / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE/INHIBITOR / VIRAL PROTEIN / HYDROLASE-INHIBITOR complex