7h4b: Difference between revisions

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-'''Unreleased structure'''
-The entry 7h4b is ON HOLD
+==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 Z94597856 (A71EV2A-x0717)==
+<StructureSection load='7h4b' size='340' side='right'caption='[[7h4b]], [[Resolution|resolution]] 1.39&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[7h4b]] 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=7H4B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7H4B 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]] 1.39&#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=K2S:~{N},~{N},3,5-tetramethyl-1~{H}-pyrazole-4-sulfonamide'>K2S</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7h4b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7h4b OCA], [https://pdbe.org/7h4b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7h4b RCSB], [https://www.ebi.ac.uk/pdbsum/7h4b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7h4b 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.
-Authors: Lithgo, R.M., Fairhead, M., Koekemoer, L., Balcomb, B.H., Capkin, E., Chandran, A.V., Golding, M., Godoy, A.S., Aschenbrenner, J.C., Marples, P.G., Ni, X., Thompson, W., Tomlinson, C.W.E., Wild, C., Winokan, M., Xavier, M.-A.E., Fearon, D., von Delft, F.
+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>
-Description: 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 Z94597856 (A71EV2A-x0717)
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Golding, M]]
+<div class="pdbe-citations 7h4b" style="background-color:#fffaf0;"></div>
-[[Category: Balcomb, B.H]]
+== References ==
-[[Category: Chandran, A.V]]
+<references/>
-[[Category: Lithgo, R.M]]
+__TOC__
-[[Category: Godoy, A.S]]
+</StructureSection>
-[[Category: Fearon, D]]
+[[Category: Coxsackievirus A16]]
-[[Category: Thompson, W]]
+[[Category: Large Structures]]
-[[Category: Fairhead, M]]
+[[Category: Aschenbrenner JC]]
-[[Category: Von Delft, F]]
+[[Category: Balcomb BH]]
-[[Category: Marples, P.G]]
+[[Category: Capkin E]]
-[[Category: Koekemoer, L]]
+[[Category: Chandran AV]]
-[[Category: Wild, C]]
+[[Category: Fairhead M]]
-[[Category: Ni, X]]
+[[Category: Fearon D]]
-[[Category: Xavier, M.-A.E]]
+[[Category: Godoy AS]]
-[[Category: Aschenbrenner, J.C]]
+[[Category: Golding M]]
-[[Category: Winokan, M]]
+[[Category: Koekemoer L]]
-[[Category: Capkin, E]]
+[[Category: Lithgo RM]]
-[[Category: Tomlinson, C.W.E]]
+[[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]]