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3LOX

HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound

Summary for 3LOX
Entry DOI10.2210/pdb3lox/pdb
Related PRD IDPRD_000843
DescriptorHCV NS3 Protease, HCV NS4a(21-39) peptide, ZINC ION, ... (6 entities in total)
Functional Keywordsns3 protease domain, serine protease, ketoamide inhibitor, atp-binding, hydrolase, membrane, nucleotide-binding, rna replication, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHepatitis C virus subtype 1a
Total number of polymer chains4
Total formula weight48025.24
Authors
Prongay, A.J. (deposition date: 2010-02-04, release date: 2011-02-23, Last modification date: 2012-12-12)
Primary citationBennett, F.,Huang, Y.,Hendrata, S.,Lovey, R.,Bogen, S.L.,Pan, W.,Guo, Z.,Prongay, A.,Chen, K.X.,Arasappan, A.,Venkatraman, S.,Velazquez, F.,Nair, L.,Sannigrahi, M.,Tong, X.,Pichardo, J.,Cheng, K.C.,Girijavallabhan, V.M.,Saksena, A.K.,Njoroge, F.G.
The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20:2617-2621, 2010
Cited by
PubMed: 20303756
DOI: 10.1016/j.bmcl.2010.02.063
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.65 Å)
Structure validation

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