7buy
From Proteopedia
(Difference between revisions)
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==The crystal structure of COVID-19 main protease in complex with carmofur== | ==The crystal structure of COVID-19 main protease in complex with carmofur== | ||
| - | <StructureSection load='7buy' size='340' side='right'caption='[[7buy]]' scene=''> | + | <StructureSection load='7buy' size='340' side='right'caption='[[7buy]], [[Resolution|resolution]] 1.60Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BUY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7BUY FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7buy]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/2019-ncov 2019-ncov]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BUY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7BUY FirstGlance]. <br> |
| - | </td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7buy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7buy OCA], [http://pdbe.org/7buy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7buy RCSB], [http://www.ebi.ac.uk/pdbsum/7buy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7buy ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=JRY:hexylcarbamic+acid'>JRY</scene></td></tr> |
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/SARS_coronavirus_main_proteinase SARS coronavirus main proteinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.69 3.4.22.69] </span></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7buy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7buy OCA], [http://pdbe.org/7buy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7buy RCSB], [http://www.ebi.ac.uk/pdbsum/7buy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7buy ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The antineoplastic drug carmofur is shown to inhibit the SARS-CoV-2 main protease (M(pro)). Here, the X-ray crystal structure of M(pro) in complex with carmofur reveals that the carbonyl reactive group of carmofur is covalently bound to catalytic Cys145, whereas its fatty acid tail occupies the hydrophobic S2 subsite. Carmofur inhibits viral replication in cells (EC50 = 24.30 muM) and is a promising lead compound to develop new antiviral treatment for COVID-19. | ||
| + | |||
| + | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.,Jin Z, Zhao Y, Sun Y, Zhang B, Wang H, Wu Y, Zhu Y, Zhu C, Hu T, Du X, Duan Y, Yu J, Yang X, Yang X, Yang K, Liu X, Guddat LW, Xiao G, Zhang L, Yang H, Rao Z Nat Struct Mol Biol. 2020 May 7. pii: 10.1038/s41594-020-0440-6. doi:, 10.1038/s41594-020-0440-6. PMID:32382072<ref>PMID:32382072</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7buy" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: 2019-ncov]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Jin Z]] | + | [[Category: SARS coronavirus main proteinase]] |
| - | [[Category: Liu X]] | + | [[Category: Jin, Z]] |
| - | [[Category: Rao Z]] | + | [[Category: Liu, X]] |
| - | [[Category: Yang H]] | + | [[Category: Rao, Z]] |
| - | [[Category: Zhang B]] | + | [[Category: Yang, H]] |
| - | [[Category: Zhao Y]] | + | [[Category: Zhang, B]] |
| + | [[Category: Zhao, Y]] | ||
| + | [[Category: Carmofur]] | ||
| + | [[Category: Covid-2019 virus]] | ||
| + | [[Category: Main protease]] | ||
| + | [[Category: Viral protein]] | ||
Revision as of 06:16, 20 May 2020
The crystal structure of COVID-19 main protease in complex with carmofur
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