3udl
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==3-heterocyclyl quinolone bound to HCV NS5B== | |
| + | <StructureSection load='3udl' size='340' side='right'caption='[[3udl]], [[Resolution|resolution]] 2.17Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3udl]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_subtype_1b Hepatitis C virus subtype 1b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UDL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3UDL FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.174Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KLI:3-(5-BENZYL-1,2,4-OXADIAZOL-3-YL)-6-FLUORO-1-[2-FLUORO-4-(TRIFLUOROMETHYL)BENZYL]-7-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-4(1H)-ONE'>KLI</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3udl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3udl OCA], [https://pdbe.org/3udl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3udl RCSB], [https://www.ebi.ac.uk/pdbsum/3udl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3udl ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Hepatitis C virus (HCV) infection is treated with a combination of peginterferon alfa-2a/b and ribavirin. To address the limitations of this therapy, numerous small molecule agents are in development, which act by directly affecting key steps in the viral life-cycle. Herein we describe our discovery of quinolone derivatives, novel small-molecules that inhibit NS5b polymerase, a key enzyme of the viral life-cycle. A crystal structure of a quinoline analog bound to NS5B reveals that this class of compounds binds to allosteric site-II (non-nucleoside inhibitor-site 2, NNI-2) of this protein. | ||
| - | + | Quinolones as HCV NS5B polymerase inhibitors.,Kumar DV, Rai R, Brameld KA, Somoza JR, Rajagopalan R, Janc JW, Xia YM, Ton TL, Shaghafi MB, Hu H, Lehoux I, To N, Young WB, Green MJ Bioorg Med Chem Lett. 2011 Jan 1;21(1):82-7. Epub 2010 Nov 21. PMID:21145235<ref>PMID:21145235</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3udl" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[RNA polymerase 3D structures|RNA polymerase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Hepatitis C virus subtype 1b]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Somoza JR]] | ||
Current revision
3-heterocyclyl quinolone bound to HCV NS5B
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