We apologize for Proteopedia being slow to respond. For the past two years, a new implementation of Proteopedia has been being built. Soon, it will replace this 18-year old system. All existing content will be moved to the new system at a date that will be announced here.
2hwh
From Proteopedia
Revision as of 10:01, 29 September 2014 by OCA (Talk | contribs)
2hwh is a 2 chain structure with sequence from Hepatitis c virus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
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.
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
↑ Yan S, Appleby T, Larson G, Wu JZ, Hamatake R, Hong Z, Yao N. Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5888-91. Epub 2006 Aug 24. PMID:16934455 doi:10.1016/j.bmcl.2006.08.056
