3mf5
From Proteopedia
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| - | [[ | + | ==Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor== |
| + | <StructureSection load='3mf5' size='340' side='right' caption='[[3mf5]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3mf5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MF5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3MF5 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HJZ:3-[2-(TRANS-4-METHYLCYCLOHEXYL)PHENYL]-5-PHENYLTHIOPHENE-2-CARBOXYLIC+ACID'>HJZ</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2gir|2gir]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] </span></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3mf5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mf5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3mf5 RCSB], [http://www.ebi.ac.uk/pdbsum/3mf5 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Conformational modeling has been successfully applied to the design of cyclic bioisosteres used to replace a conformationally rigid amide bond in a series of thiophene carboxylate inhibitors of HCV NS5B polymerase. Select compounds were equipotent with the original amide series. Single-point mutant binding studies, in combination with inhibition structure-activity relationships, suggest this new series interacts at the Thumb-II domain of NS5B. Inhibitor binding at the Thumb-II site was ultimately confirmed by solving a crystal structure of 8b complexed with NS5B. | ||
| - | + | Cyclic amide bioisosterism: strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.,Yang H, Hendricks RT, Arora N, Nitzan D, Yee C, Lucas MC, Yang Y, Fung A, Rajyaguru S, Harris SF, Leveque VJ, Hang JQ, Pogam SL, Reuter D, Tavares GA Bioorg Med Chem Lett. 2010 Aug 1;20(15):4614-9. Epub 2010 Jun 8. PMID:20584604<ref>PMID:20584604</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
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==See Also== | ==See Also== | ||
*[[RNA polymerase|RNA polymerase]] | *[[RNA polymerase|RNA polymerase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: RNA-directed RNA polymerase]] | [[Category: RNA-directed RNA polymerase]] | ||
| - | [[Category: Ghate, M | + | [[Category: Ghate, M]] |
| - | [[Category: Harris, S F | + | [[Category: Harris, S F]] |
| - | [[Category: Tavares, G | + | [[Category: Tavares, G]] |
[[Category: Hcv]] | [[Category: Hcv]] | ||
[[Category: Hepatitis]] | [[Category: Hepatitis]] | ||
Revision as of 09:13, 9 December 2014
Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor
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