PDB Information

PDB2OBO
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceHepatitis C virus
Primary 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., 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.
J.Med.Chem.
HeaderHydrolase/Hydrolase Inhibitor
Released2006-12-19
Resolution2.600
CATH Insert Date07 Nov, 2007

PDB Images (9)

PDB Prints

PDB Chains (4)

Chain ID Date inserted into CATH CATH Status
A 08 Nov, 2007 Chopped
B 08 Nov, 2007 Rejected
C 08 Nov, 2007 Chopped
D 08 Nov, 2007 Rejected

CATH Domains (4)

Domain ID Date inserted into CATH Superfamily CATH Status
2oboA01 23 Nov, 2007 2.40.10.120 Assigned
2oboA02 23 Nov, 2007 2.40.10.10 Assigned
2oboC01 23 Nov, 2007 2.40.10.120 Assigned
2oboC02 23 Nov, 2007 2.40.10.10 Assigned

UniProtKB Entries (4)

Accession Gene ID Taxon Description
Q9QP06 Q9QP06_9HEPC Hepatitis C virus subtype 1b Genome polyprotein
Q91RS4 Q91RS4_9HEPC Hepacivirus C NS3 protease
Q9QP06 Q9QP06_9HEPC Hepatitis C virus subtype 1b Genome polyprotein
Q91RS4 Q91RS4_9HEPC Hepacivirus C NS3 protease