2alv

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[[Image:2alv.png|left|200px]]
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==X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors==
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<StructureSection load='2alv' size='340' side='right' caption='[[2alv]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2alv]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ALV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ALV FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CY6:N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE'>CY6</scene><br>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2alv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2alv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2alv RCSB], [http://www.ebi.ac.uk/pdbsum/2alv PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/al/2alv_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Design, synthesis, and biological evaluation of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease (SARS-3CLpro) inhibitors for severe acute respiratory syndrome coronavirus (SARS-CoV) are described. These inhibitors exhibited antiviral activity against SARS-CoV in infected cells in the micromolar range. An X-ray crystal structure of our lead inhibitor (4) bound to SARS-3CLpro provided important drug-design templates for the design of small-molecule inhibitors.
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{{STRUCTURE_2alv| PDB=2alv | SCENE= }}
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Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.,Ghosh AK, Xi K, Ratia K, Santarsiero BD, Fu W, Harcourt BH, Rota PA, Baker SC, Johnson ME, Mesecar AD J Med Chem. 2005 Nov 3;48(22):6767-71. PMID:16250632<ref>PMID:16250632</ref>
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===X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_16250632}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2alv]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ALV OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:016250632</ref><references group="xtra"/>
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[[Category: Sars coronavirus]]
[[Category: Sars coronavirus]]
[[Category: Baker, S C.]]
[[Category: Baker, S C.]]

Revision as of 01:35, 30 September 2014

X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors

2alv, resolution 1.90Å

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OCA

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