3EYD
Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid
Summary for 3EYD
| Entry DOI | 10.2210/pdb3eyd/pdb |
| Descriptor | HCV NS3, HCV NS4a peptide, ZINC ION, ... (5 entities in total) |
| Functional Keywords | hepatitis c virus, ns3 protease domain, serine protease, boronic acid inhibitor, envelope protein, helicase, hydrolase, nucleotide-binding, rna replication, transmembrane, viral protein |
| Biological source | Hepatitis C virus subtype 1a More |
| Total number of polymer chains | 4 |
| Total formula weight | 48012.99 |
| Authors | Venkatraman, S.,Wu, W.,Prongay, A.J.,Girijavallabhan, V.,Njoroge, F.G. (deposition date: 2008-10-20, release date: 2009-02-10, Last modification date: 2024-11-20) |
| Primary citation | Venkatraman, S.,Wu, W.,Prongay, A.,Girijavallabhan, V.,George Njoroge, F. Potent inhibitors of HCV-NS3 protease derived from boronic acids. Bioorg.Med.Chem.Lett., 19:180-183, 2009 Cited by PubMed Abstract: Chronic hepatitis C infection is the leading causes for cirrhosis of the liver and hepatocellular carcinoma, leading to liver failure and liver transplantation. The etiological agent, HCV virus produces a single positive strand of RNA that is processed with the help of serine protease NS3 to produce mature virus. Inhibition of NS3 protease can be potentially used to develop effective drugs for HCV infections. Numerous efforts are now underway to develop potent inhibitors of HCV protease that contain ketoamides as serine traps. Herein we report the synthesis of a series of potent inhibitors that contain a boronic acid as a serine trap. The activity of these compounds were optimized to 200pM. X-ray structure of compound 17 bound to NS3 protease is also discussed. PubMed: 19022670DOI: 10.1016/j.bmcl.2008.10.124 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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