View source for 7h39


==Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z50145861 (A71EV2A-x0341)==
<StructureSection load='7h39' size='340' side='right'caption='[[7h39]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[7h39]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Coxsackievirus_A16 Coxsackievirus A16]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7H39 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7H39 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]] 1.25&#8491;</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=W1P:5-methyl-2-phenyl-4~{H}-pyrazol-3-one'>W1P</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=7h39 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7h39 OCA], [https://pdbe.org/7h39 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7h39 RCSB], [https://www.ebi.ac.uk/pdbsum/7h39 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7h39 ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Enteroviruses are the causative agents of paediatric hand-foot-and-mouth disease, and a target for pandemic preparedness due to the risk of higher order complications in a large-scale outbreak. The 2A protease of these viruses is responsible for the self-cleavage of the poly protein, allowing for correct folding and assembly of capsid proteins in the final stages of viral replication. These 2A proteases are highly conserved between Enterovirus species, such as Enterovirus A71 and Coxsackievirus A16 . Inhibition of the 2A protease deranges capsid folding and assembly, preventing formation of mature virions in host cells and making the protease a valuable target for antiviral activity. Herein, we describe a crystallographic fragment screening campaign that identified 75 fragments which bind to the 2A protease including 38 unique compounds shown to bind within the active site. These fragments reveal a path for the development of non-peptidomimetic inhibitors of the 2A protease with broad-spectrum anti-enteroviral activity.

Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.,Lithgo RM, Tomlinson CWE, Fairhead M, Winokan M, Thompson W, Wild C, Aschenbrenner JC, Balcomb BH, Marples PG, Chandran AV, Golding M, Koekemoer L, Williams EP, Wang S, Ni X, MacLean E, Giroud C, Godoy AS, Xavier MA, Walsh M, Fearon D, von Delft F bioRxiv [Preprint]. 2024 Apr 29:2024.04.29.591684. doi: , 10.1101/2024.04.29.591684. PMID:38746446<ref>PMID:38746446</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 7h39" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Coxsackievirus A16]]
[[Category: Large Structures]]
[[Category: Aschenbrenner JC]]
[[Category: Balcomb BH]]
[[Category: Capkin E]]
[[Category: Chandran AV]]
[[Category: Fairhead M]]
[[Category: Fearon D]]
[[Category: Godoy AS]]
[[Category: Golding M]]
[[Category: Koekemoer L]]
[[Category: Lithgo RM]]
[[Category: Marples PG]]
[[Category: Ni X]]
[[Category: Thompson W]]
[[Category: Tomlinson CWE]]
[[Category: Wild C]]
[[Category: Winokan M]]
[[Category: Xavier M-AE]]
[[Category: Von Delft F]]