3eyd: Difference between revisions
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==Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid== | ==Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid== | ||
<StructureSection load='3eyd' size='340' side='right' caption='[[3eyd]], [[Resolution|resolution]] 2.30Å' scene=''> | <StructureSection load='3eyd' size='340' side='right' caption='[[3eyd]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BE8:[(1R)-2-CYCLOBUTYL-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-DIMETHYL-1-{[METHYL(METHYLSULFONYL)AMINO]METHYL}PROPYL]CARBAMOYL}-3-METHYL-L-VALYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-2-YL]CARBONYL}AMINO)ETHYL]BORONIC+ACID'>BE8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BE8:[(1R)-2-CYCLOBUTYL-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-DIMETHYL-1-{[METHYL(METHYLSULFONYL)AMINO]METHYL}PROPYL]CARBAMOYL}-3-METHYL-L-VALYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-2-YL]CARBONYL}AMINO)ETHYL]BORONIC+ACID'>BE8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ns3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=31646 Hepatitis C virus subtype 1a])</td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ns3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=31646 Hepatitis C virus subtype 1a])</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=3eyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eyd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eyd RCSB], [http://www.ebi.ac.uk/pdbsum/3eyd PDBsum]</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=3eyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eyd OCA], [http://pdbe.org/3eyd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eyd RCSB], [http://www.ebi.ac.uk/pdbsum/3eyd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3eyd ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 3eyd" style="background-color:#fffaf0;"></div> | |||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 20:43, 11 August 2016
Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic AcidStructure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid
Structural highlights
Publication Abstract from PubMedChronic hepatitis C infection is the leading causes for cirrhosis of the liver and hepatocellular carcinoma, leading to liver failure and liver transplantation. The etiological agent, HCV virus produces a single positive strand of RNA that is processed with the help of serine protease NS3 to produce mature virus. Inhibition of NS3 protease can be potentially used to develop effective drugs for HCV infections. Numerous efforts are now underway to develop potent inhibitors of HCV protease that contain ketoamides as serine traps. Herein we report the synthesis of a series of potent inhibitors that contain a boronic acid as a serine trap. The activity of these compounds were optimized to 200pM. X-ray structure of compound 17 bound to NS3 protease is also discussed. Potent inhibitors of HCV-NS3 protease derived from boronic acids.,Venkatraman S, Wu W, Prongay A, Girijavallabhan V, George Njoroge F Bioorg Med Chem Lett. 2009 Jan 1;19(1):180-3. Epub 2008 Nov 5. PMID:19022670[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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