7buy

<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='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>

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== 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.

 

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== References ==

[[Category: 2019-ncov]]

[[Category: Jin, Z]]

[[Category: Liu, X]]

[[Category: Rao, Z]]

[[Category: Yang, H]]

[[Category: Zhang, B]]

[[Category: Zhao, Y]]

[[Category: Viral protein]]