2f9u
From Proteopedia
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| - | [[Image:2f9u.gif|left|200px]] | ||
| - | + | ==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane== | |
| - | + | <StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution|resolution]] 2.60Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[2f9u]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_hominis Hepacivirus hominis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U 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]] 2.6Å</td></tr> | |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NH:tert-butyl+N-[(1S)-1-cyclohexyl-2-[(1S,4R,6S)-6-[[(3S)-1-[[2-[[(1S)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1,2-dioxo-heptan-3-yl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxo-ethyl]carbamate'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr> | |
| - | + | </table> | |
| - | + | == Function == | |
| - | + | [https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC] | |
| - | + | == Evolutionary Conservation == | |
| - | == | + | [[Image:Consurf_key_small.gif|200px|right]] |
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </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=2f9u ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections. | Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections. | ||
| - | + | Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid.,Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:16413182<ref>PMID:16413182</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 2f9u" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Helicase 3D structures|Helicase 3D structures]] | ||
| + | *[[Virus protease 3D structures|Virus protease 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Hepacivirus hominis]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Butkiewicz N]] | ||
| + | [[Category: Girijavallabhan V]] | ||
| + | [[Category: Njoroge FG]] | ||
| + | [[Category: Pichardo J]] | ||
| + | [[Category: Prongay AJ]] | ||
| + | [[Category: Venkatraman S]] | ||
| + | [[Category: Wu W]] | ||
Current revision
HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane
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