2hwi | pdb_00002hwi
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| 2hwi, resolution 2.0Å | |||||||||||||
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| Ligands: | VRX | ||||||||||||
| Activity: | RNA-directed RNA polymerase, with EC number 2.7.7.48 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
HCV NS5B allosteric inhibitor complex
Overview
A structure-based approach was performed to design a novel thiazolone scaffold as HCV NS5B inhibitors. A focused library was designed and docked by GOLD. One of the top-scored molecules was synthesized and shown to have similar potency to the initial hit. The X-ray complex structure was determined and validated our design rationale.
About this Structure
2HWI is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors., Yan S, Appleby T, Larson G, Wu JZ, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5888-91. Epub 2006 Aug 24. PMID:16934455
Page seeded by OCA on Thu Mar 20 17:22:26 2008
