1yvf
From Proteopedia
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==Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145== | ==Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145== | ||
- | <StructureSection load='1yvf' size='340' side='right' caption='[[1yvf]], [[Resolution|resolution]] 2.50Å' scene=''> | + | <StructureSection load='1yvf' size='340' side='right'caption='[[1yvf]], [[Resolution|resolution]] 2.50Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
- | <table><tr><td colspan='2'>[[1yvf]] is a 1 chain structure with sequence from [ | + | <table><tr><td colspan='2'>[[1yvf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_C Hepacivirus C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YVF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YVF FirstGlance]. <br> |
- | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PH7:(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC+ACID'>PH7</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5Å</td></tr> |
- | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PH7:(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC+ACID'>PH7</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr> | |
- | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1yvf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yvf OCA], [https://pdbe.org/1yvf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yvf RCSB], [https://www.ebi.ac.uk/pdbsum/1yvf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yvf ProSAT]</span></td></tr> |
</table> | </table> | ||
+ | == Function == | ||
+ | [https://www.uniprot.org/uniprot/O93077_9HEPC O93077_9HEPC] | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
- | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/yv/1yvf_consurf.spt"</scriptWhenChecked> | + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/yv/1yvf_consurf.spt"</scriptWhenChecked> |
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1yvf ConSurf]. | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1yvf ConSurf]. | ||
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
- | <div style="background-color:#fffaf0;"> | ||
- | == Publication Abstract from PubMed == | ||
- | A novel series of nonnucleoside HCV NS5B polymerase inhibitors were prepared from (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid, a high throughput screening lead. SAR studies combined with structure based drug design focusing on the southern heterobiaryl region of the template led to the synthesis of several potent and orally bioavailable lead compounds. X-ray crystallography studies were also performed to understand the interaction of these inhibitors with HCV NS5B polymerase. | ||
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- | Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.,Pfefferkorn JA, Greene ML, Nugent RA, Gross RJ, Mitchell MA, Finzel BC, Harris MS, Wells PA, Shelly JA, Anstadt RA, Kilkuskie RE, Kopta LA, Schwende FJ Bioorg Med Chem Lett. 2005 May 16;15(10):2481-6. PMID:15863301<ref>PMID:15863301</ref> | ||
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- | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
- | </div> | ||
- | <div class="pdbe-citations 1yvf" style="background-color:#fffaf0;"></div> | ||
- | == References == | ||
- | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
- | [[Category: | + | [[Category: Hepacivirus C]] |
- | [[Category: Anstadt | + | [[Category: Large Structures]] |
- | [[Category: Finzel | + | [[Category: Anstadt RA]] |
- | [[Category: Greene | + | [[Category: Finzel BC]] |
- | [[Category: Gross | + | [[Category: Greene ML]] |
- | [[Category: Harris | + | [[Category: Gross RJ]] |
- | [[Category: Kilkuskie | + | [[Category: Harris MS]] |
- | [[Category: Kopta | + | [[Category: Kilkuskie RE]] |
- | [[Category: Mitchell | + | [[Category: Kopta LA]] |
- | [[Category: Nugent | + | [[Category: Mitchell MA]] |
- | [[Category: Pfefferkorn | + | [[Category: Nugent RA]] |
- | [[Category: Schwende | + | [[Category: Pfefferkorn JA]] |
- | [[Category: Shelly | + | [[Category: Schwende FJ]] |
- | [[Category: Wells | + | [[Category: Shelly JA]] |
- | + | [[Category: Wells PA]] | |
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Current revision
Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
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Categories: Hepacivirus C | Large Structures | Anstadt RA | Finzel BC | Greene ML | Gross RJ | Harris MS | Kilkuskie RE | Kopta LA | Mitchell MA | Nugent RA | Pfefferkorn JA | Schwende FJ | Shelly JA | Wells PA