PDB ID: 2OBO
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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BME | Beta-mercaptoethanol | PoSSuM | |||
HUD | Tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | PoSSuM | |||
ZN | Zinc ion | PoSSuM |
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Download interaction data: 2OBO
Structure summary
Code : | 2OBO PDBj RCSB PDB PDBe | ||||||||||||||||||||||||
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Header : | HYDROLASE/HYDROLASE INHIBITOR | ||||||||||||||||||||||||
Title : | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | ||||||||||||||||||||||||
Release Data : | 2007-07-31 | ||||||||||||||||||||||||
Compound : |
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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. | ||||||||||||||||||||||||
Keywords : | ketoamide inhibitor, Viral Protein, HYDROLASE-HYDROLASE INHIBITOR complex | ||||||||||||||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 2.6 Å ) | ||||||||||||||||||||||||
Citation : |
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.
Prongay, A.J.,Guo, Z.,Yao, N.
et al.
PubMed: 17444623 Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Kim, J.L.,Morgenstern, K.A.,Lin, C.
et al.
PubMed: 8861917 Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency.
Arasappan, A.,Njoroge, F.G.,Chan, T.Y.
et al.
PubMed: 16087332 Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease.
Chen, K.X.,Njoroge, F.G.,Prongay, A.
et al.
PubMed: 16112859 Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bogen, S.,Saksena, A.K.,Arasappan, A.
et al.
PubMed: 16112862 Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations.
Yi, M.,Tong, X.,Skelton, A.
et al.
PubMed: 16352601 |
Reaction
Chain : | A, C | ||||||||
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UniProt : | Q91RS4 (Q91RS4_9HEPC) | ||||||||
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Chain : | B, D | ||||||||||||||||
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UniProt : | Q9QP06 (Q9QP06_9HEPC) | ||||||||||||||||
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