5tyk - Revision history

OCA at 13:16, 4 October 2023

OCA — Wed, 04 Oct 2023 13:16:22 GMT

←Older revision		Revision as of 13:16, 4 October 2023
Line 3:		Line 3:
	<StructureSection load='5tyk' size='340' side='right'caption='[[5tyk]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='5tyk' size='340' side='right'caption='[[5tyk]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5tyk]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Australian_sheep_blowfly Australian sheep blowfly~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TYK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5TYK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5tyk]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Lucilia_cuprina Lucilia cuprina]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TYK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TYK FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=7N4:{3-chloro-4~~-[~~(2-fluorophenyl)methoxy~~]~~phenyl}borinic+acid'>7N4</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.65Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[5tym\|5tym]], [[5tyj\|5tyj]], [[5tyl\|5tyl]], [[5tyn\|5tyn]], [[5tyo\|5tyo]], [[5typ\|5typ]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7N4:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic+acid'>7N4</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><b>[~~[Gene\|Gene:~~]~~]</b~~></td>~~<td class="sblockDat">LcaE7 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7375 Australian sheep blowfly])~~</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=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [https://pdbe.org/5tyk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [https://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [~~http~~://pdbe.org/5tyk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q25252_LUCCU Q25252_LUCCU]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Australian sheep blowfly]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Correy, G J~~]]	+	[[Category: Lucilia cuprina]]
-	[[Category: ~~Jackson, C J~~]]	+	[[Category: Correy GJ]]
-	[[Category: ~~Carboxylesterase]]~~	+	[[Category: Jackson CJ]]
-	~~[[Category: Covalent inhibitor]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Insecticide resistance]]~~	+
-	~~[[Category: Organophosphate~~]]	+

OCA at 11:24, 13 November 2019

OCA — Wed, 13 Nov 2019 11:24:17 GMT

←Older revision		Revision as of 11:24, 13 November 2019
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	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [http://pdbe.org/5tyk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [http://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [http://pdbe.org/5tyk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [http://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Insecticides allow control of agricultural pests and disease vectors and are vital for global food security and health. The evolution of resistance to insecticides, such as organophosphates (OPs), is a serious and growing concern. OP resistance often involves sequestration or hydrolysis of OPs by carboxylesterases. Inhibiting carboxylesterases could, therefore, restore the effectiveness of OPs for which resistance has evolved. Here, we use covalent virtual screening to produce nano-/picomolar boronic acid inhibitors of the carboxylesterase alphaE7 from the agricultural pest Lucilia cuprina as well as a common Gly137Asp alphaE7 mutant that confers OP resistance. These inhibitors, with high selectivity against human acetylcholinesterase and low to no toxicity in human cells and in mice, act synergistically with the OPs diazinon and malathion to reduce the amount of OP required to kill L. cuprina by up to 16-fold and abolish resistance. The compounds exhibit broad utility in significantly potentiating another OP, chlorpyrifos, against the common pest, the peach-potato aphid (Myzus persicae). These compounds represent a solution to OP resistance as well as to environmental concerns regarding overuse of OPs, allowing significant reduction of use without compromising efficacy.
		+
		+	Overcoming insecticide resistance through computational inhibitor design.,Correy GJ, Zaidman D, Harmelin A, Carvalho S, Mabbitt PD, Calaora V, James PJ, Kotze AC, Jackson CJ, London N Proc Natl Acad Sci U S A. 2019 Oct 15;116(42):21012-21021. doi:, 10.1073/pnas.1909130116. Epub 2019 Oct 1. PMID:31575743<ref>PMID:31575743</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5tyk" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Carboxylesterase 3D structures\|Carboxylesterase 3D structures]]		*[[Carboxylesterase 3D structures\|Carboxylesterase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 05:52, 10 October 2019

OCA — Thu, 10 Oct 2019 05:52:31 GMT

←Older revision		Revision as of 05:52, 10 October 2019
Line 1:		Line 1:

	==alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid==		==alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid==
-	<StructureSection load='5tyk' size='340' side='right' caption='[[5tyk]], [[Resolution\|resolution]] 1.65Å' scene=''>	+	<StructureSection load='5tyk' size='340' side='right'caption='[[5tyk]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5tyk]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TYK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TYK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5tyk]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Australian_sheep_blowfly Australian sheep blowfly]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TYK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TYK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7N4:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic+acid'>7N4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7N4:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic+acid'>7N4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tym\|5tym]], [[5tyj\|5tyj]], [[5tyl\|5tyl]], [[5tyn\|5tyn]], [[5tyo\|5tyo]], [[5typ\|5typ]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tym\|5tym]], [[5tyj\|5tyj]], [[5tyl\|5tyl]], [[5tyn\|5tyn]], [[5tyo\|5tyo]], [[5typ\|5typ]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">LcaE7 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7375 Australian sheep blowfly])</td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [http://pdbe.org/5tyk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [http://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [http://pdbe.org/5tyk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [http://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>
	</table>		</table>
		+
		+	==See Also==
		+	*[[Carboxylesterase 3D structures\|Carboxylesterase 3D structures]]
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Australian sheep blowfly]]
		+	[[Category: Large Structures]]
	[[Category: Correy, G J]]		[[Category: Correy, G J]]
	[[Category: Jackson, C J]]		[[Category: Jackson, C J]]

OCA at 07:13, 6 December 2017

OCA — Wed, 06 Dec 2017 07:13:07 GMT

←Older revision		Revision as of 07:13, 6 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5tyk ~~is ON HOLD until Paper Publication~~	+	==alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid==
-		+	<StructureSection load='5tyk' size='340' side='right' caption='[[5tyk]], [[Resolution\|resolution]] 1.65Å' scene=''>
-	~~Authors~~: ~~Correy, G~~.J.~~, Jackson, C~~.J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5tyk]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TYK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TYK FirstGlance]. <br>
-	~~Description~~: ~~alpha~~-~~esterase-7 in complex with~~ 3-chloro-4-[(2-fluorophenyl)methoxy]~~phenylborinic~~ acid	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7N4:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic+acid'>7N4</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tym\|5tym]], [[5tyj\|5tyj]], [[5tyl\|5tyl]], [[5tyn\|5tyn]], [[5tyo\|5tyo]], [[5typ\|5typ]]</td></tr>
-	[[~~Category~~: ~~Jackson~~, C.J]]	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5tyk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tyk OCA], [http://pdbe.org/5tyk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tyk RCSB], [http://www.ebi.ac.uk/pdbsum/5tyk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tyk ProSAT]</span></td></tr>
-	[[Category: Correy, G.J]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Correy, G J]]
		+	[[Category: Jackson, C J]]
		+	[[Category: Carboxylesterase]]
		+	[[Category: Covalent inhibitor]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Insecticide resistance]]
		+	[[Category: Organophosphate]]

OCA: Protected "5tyk" [edit=sysop:move=sysop]

OCA — Fri, 09 Dec 2016 18:03:58 GMT

Protected "5tyk" [edit=sysop:move=sysop]

←Older revision

Revision as of 18:03, 9 December 2016

OCA: New page: '''Unreleased structure''' The entry 5tyk is ON HOLD until Paper Publication Authors: Correy, G.J., Jackson, C.J. Description: alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophe...

OCA — Fri, 09 Dec 2016 18:03:57 GMT

New page: '''Unreleased structure''' The entry 5tyk is ON HOLD until Paper Publication Authors: Correy, G.J., Jackson, C.J. Description: alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophe...

New page

'''Unreleased structure'''

The entry 5tyk is ON HOLD until Paper Publication

Authors: Correy, G.J., Jackson, C.J.

Description: alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid
[[Category: Unreleased Structures]]
[[Category: Jackson, C.J]]
[[Category: Correy, G.J]]