7l8h

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'''Unreleased structure'''
 
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The entry 7l8h is ON HOLD until Paper Publication
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==EV68 3C protease (3Cpro) in Complex with Rupintrivir==
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<StructureSection load='7l8h' size='340' side='right'caption='[[7l8h]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7L8H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7L8H FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AG7:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC+ACID+ETHYL+ESTER'>AG7</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7l8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7l8h OCA], [https://pdbe.org/7l8h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7l8h RCSB], [https://www.ebi.ac.uk/pdbsum/7l8h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7l8h ProSAT]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Rupintrivir targets the 3C cysteine proteases of the picornaviridae family, which includes rhinoviruses and enteroviruses that cause a range of human diseases. Despite being a pan-3C protease inhibitor, rupintrivir activity is extremely weak against the homologous 3C-like protease of SARS-CoV-2. In this study, the crystal structures of rupintrivir were determined bound to enterovirus 68 (EV68) 3C protease and the 3C-like main protease (M(pro)) from SARS-CoV-2. While the EV68 3C protease-rupintrivir structure was similar to previously determined complexes with other picornavirus 3C proteases, rupintrivir bound in a unique conformation to the active site of SARS-CoV-2 M(pro) splitting the catalytic cysteine and histidine residues. This bifurcation of the catalytic dyad may provide a novel approach for inhibiting cysteine proteases.
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Authors:
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Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.,Lockbaum GJ, Henes M, Lee JM, Timm J, Nalivaika EA, Thompson PR, Kurt Yilmaz N, Schiffer CA Biochemistry. 2021 Sep 10. doi: 10.1021/acs.biochem.1c00414. PMID:34506130<ref>PMID:34506130</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 7l8h" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Henes M]]
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[[Category: Lee JM]]
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[[Category: Lockbaum GJ]]
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[[Category: Nalivaika EA]]
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[[Category: Schiffer CA]]
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[[Category: Thompson PR]]
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[[Category: Timm J]]
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[[Category: Yilmaz NK]]

Current revision

EV68 3C protease (3Cpro) in Complex with Rupintrivir

PDB ID 7l8h

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