OCA at 08:52, 17 October 2024

2024-10-17T08:52:06Z

← Older revision		Revision as of 08:52, 17 October 2024
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	~~'''Unreleased structure'''~~

	The ~~entry 7h4e~~ 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 Z17497990 (A71EV2A-x0739)==
			<StructureSection load='7h4e' size='340' side='right'caption='[[7h4e]], [[Resolution\|resolution]] 1.58Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[7h4e]] 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=7H4E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7H4E 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]] 1.58Å</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=S07:2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone'>S07</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=7h4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7h4e OCA], [https://pdbe.org/7h4e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7h4e RCSB], [https://www.ebi.ac.uk/pdbsum/7h4e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7h4e 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 Z17497990 (A71EV2A-x0739)~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	[[Category: ~~Unreleased~~ Structures]]		</div>
	[[Category: ~~Golding, M~~]]		<div class="pdbe-citations 7h4e" 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]]

OCA: Protected "7h4e" [edit=sysop:move=sysop]

2024-04-10T06:21:18Z

Protected "7h4e" [edit=sysop:move=sysop]

← Older revision	Revision as of 06:21, 10 April 2024
(No difference)

OCA: New page: '''Unreleased structure''' The entry 7h4e is ON HOLD Authors: Lithgo, R.M., Fairhead, M., Koekemoer, L., Balcomb, B.H., Capkin, E., Chandran, A.V., Golding, M., Godoy, A.S., Aschenbrenn...

2024-04-10T06:21:17Z

New page: '''Unreleased structure''' The entry 7h4e is ON HOLD Authors: Lithgo, R.M., Fairhead, M., Koekemoer, L., Balcomb, B.H., Capkin, E., Chandran, A.V., Golding, M., Godoy, A.S., Aschenbrenn...

New page

'''Unreleased structure'''

The entry 7h4e is ON HOLD

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.

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 Z17497990 (A71EV2A-x0739)
[[Category: Unreleased Structures]]
[[Category: Golding, M]]
[[Category: Balcomb, B.H]]
[[Category: Chandran, A.V]]
[[Category: Lithgo, R.M]]
[[Category: Godoy, A.S]]
[[Category: Fearon, D]]
[[Category: Thompson, W]]
[[Category: Fairhead, M]]
[[Category: Von Delft, F]]
[[Category: Marples, P.G]]
[[Category: Koekemoer, L]]
[[Category: Wild, C]]
[[Category: Ni, X]]
[[Category: Xavier, M.-A.E]]
[[Category: Aschenbrenner, J.C]]
[[Category: Winokan, M]]
[[Category: Capkin, E]]
[[Category: Tomlinson, C.W.E]]

7h4e - Revision history

OCA at 08:52, 17 October 2024

OCA: Protected "7h4e" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7h4e is ON HOLD Authors: Lithgo, R.M., Fairhead, M., Koekemoer, L., Balcomb, B.H., Capkin, E., Chandran, A.V., Golding, M., Godoy, A.S., Aschenbrenn...