8j3b
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231== | |
| + | <StructureSection load='8j3b' size='340' side='right'caption='[[8j3b]], [[Resolution|resolution]] 1.64Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[8j3b]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Severe_acute_respiratory_syndrome_coronavirus_2 Severe acute respiratory syndrome coronavirus 2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8J3B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8J3B 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]] 1.64Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=V2M:~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3,4-bis(oxidanyl)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1~{H}-indole-2-carboxamide'>V2M</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=8j3b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8j3b OCA], [https://pdbe.org/8j3b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8j3b RCSB], [https://www.ebi.ac.uk/pdbsum/8j3b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8j3b ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The main protease (M (pro)) of coronaviruses plays a key role in viral replication, thus serving as a hot target for drug design. PF-00835231 is a promising inhibitor of SARS-CoV-2 M (pro). Here, we report the inhibitory potency of PF-00835231 against SARS-CoV-2 M (pro) and seven M (pro) mutants (G15S, M49I, Y54C, K90R, P132H, S46F, and V186F) from SARS-CoV-2 variants. The results confirm that PF-00835231 has broad-spectrum inhibition against various coronaviral M (pro)s. In addition, the crystal structures of SARS-CoV-2 M (pro), SARS-CoV M (pro), MERS-CoV M (pro), and seven SARS-CoV-2 M (pro) mutants (G15S, M49I, Y54C, K90R, P132H, S46F, and V186F) in complex with PF-00835231 are solved. A detailed analysis of these structures reveals key determinants essential for inhibition and elucidates the binding modes of different coronaviral M (pro)s. Given the importance of the main protease for the treatment of coronaviral infection, structural insights into M (pro) inhibition by PF-00835231 can accelerate the design of novel antivirals with broad-spectrum efficacy against different human coronaviruses. | ||
| - | + | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.,Zhou X, Lu X, Lin C, Zou X, Li W, Zeng X, Wang J, Zeng P, Wang W, Zhang J, Jiang H, Li J Acta Biochim Biophys Sin (Shanghai). 2024 Jul 29;56(12):1813-1822. doi: , 10.3724/abbs.2024122. PMID:39076076<ref>PMID:39076076</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 8j3b" style="background-color:#fffaf0;"></div> |
| - | [[Category: Li | + | == References == |
| - | [[Category: Zhang | + | <references/> |
| - | [[Category: | + | __TOC__ |
| - | [[Category: | + | </StructureSection> |
| + | [[Category: Large Structures]] | ||
| + | [[Category: Severe acute respiratory syndrome coronavirus 2]] | ||
| + | [[Category: Li J]] | ||
| + | [[Category: Lin C]] | ||
| + | [[Category: Zhang J]] | ||
| + | [[Category: Zhou XL]] | ||
| + | [[Category: Zou XF]] | ||
Current revision
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
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