| Structural highlights
3cj3 is a 2 chain structure with sequence from Hepatitis c virus subtype 1b. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: | ,
| | Related: | 3ciz, 3cj0, 3cj2, 3cj4, 3cj5 |
| Gene: | NS5B (Hepatitis C virus subtype 1b) |
| Activity: | RNA-directed RNA polymerase, with EC number 2.7.7.48 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
Non-nucleoside inhibitors of HCV NS5b RNA polymerase were discovered by a fragment-based lead discovery approach, beginning with crystallographic fragment screening. The NS5b binding affinity and biochemical activity of fragment hits and inhibitors was determined by surface plasmon resonance (Biacore) and an enzyme inhibition assay, respectively. Crystallographic fragment screening hits with approximately 1-10mM binding affinity (K(D)) were iteratively optimized to give leads with approximately 200nM biochemical activity and low microM cellular activity in a Replicon assay.
Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.,Antonysamy SS, Aubol B, Blaney J, Browner MF, Giannetti AM, Harris SF, Hebert N, Hendle J, Hopkins S, Jefferson E, Kissinger C, Leveque V, Marciano D, McGee E, Najera I, Nolan B, Tomimoto M, Torres E, Wright T Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5. Epub 2008 Mar 22. PMID:18400495[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Antonysamy SS, Aubol B, Blaney J, Browner MF, Giannetti AM, Harris SF, Hebert N, Hendle J, Hopkins S, Jefferson E, Kissinger C, Leveque V, Marciano D, McGee E, Najera I, Nolan B, Tomimoto M, Torres E, Wright T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5. Epub 2008 Mar 22. PMID:18400495 doi:http://dx.doi.org/10.1016/j.bmcl.2008.03.056
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