4i31
From Proteopedia
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| - | + | ==Crystal structure of HCV NS3/NS4A protease complexed with compound 4== | |
| - | + | <StructureSection load='4i31' size='340' side='right' caption='[[4i31]], [[Resolution|resolution]] 1.93Å' scene=''> | |
| - | {{ | + | == Structural highlights == |
| + | <table><tr><td colspan='2'>[[4i31]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus_(isolate_japanese) Hepatitis c virus (isolate japanese)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I31 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4I31 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1BV:(2R,6S,7E,10E,13AR,14AR,16AS)-2-{[7-METHOXY-8-METHYL-2-(PROPAN-2-YLOXY)QUINOLIN-4-YL]OXY}-N-[(1-METHYLCYCLOPROPYL)SULFONYL]-6-{[(1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]AMINO}-5,16-DIOXO-1,2,3,6,9,12,13,13A,14,15,16,16A-DODECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE'>1BV</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">POLG_HCVJA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11116 Hepatitis C virus (isolate Japanese)])</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=4i31 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4i31 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4i31 RCSB], [http://www.ebi.ac.uk/pdbsum/4i31 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Although optimizing the resistance profile of an inhibitor can be challenging, it is potentially important for improving the long term effectiveness of antiviral therapy. This work describes our rational approach towards the identification of a macrocyclic acyl sulfonamide that is a potent inhibitor of the NS3-NS4A proteases of all HCV genotypes, and of a panel of genotype 1 resistant variants. The enhanced potency of this compound versus variants D168V and R155K facilitated X-ray determination of the inhibitor-variant complexes. In turn, these structural studies revealed a complex molecular basis of resistance, and rationalized how such compounds are able to circumvent these mechanisms. | ||
| - | + | Molecular Mechanism by which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.,O'Meara JA, Lemke CT, Godbout C, Kukolj G, Lagace L, Moreau B, Thibeault D, White PW, Llinas-Brunet M J Biol Chem. 2012 Dec 27. PMID:23271737<ref>PMID:23271737</ref> | |
| - | + | ||
| - | [[Category: Lemke, C T | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> |
| + | </div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Lemke, C T]] | ||
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 08:36, 18 December 2014
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
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