5wio - Revision history

OCA at 14:14, 4 October 2023

OCA — Wed, 04 Oct 2023 14:14:10 GMT

←Older revision		Revision as of 14:14, 4 October 2023
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	<StructureSection load='5wio' size='340' side='right'caption='[[5wio]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='5wio' size='340' side='right'caption='[[5wio]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wio]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_coli"_migula_1895 "bacillus~~ coli~~" migula 1895~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WIO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5WIO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wio]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WIO FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=XXE:4-(1H-pyrrol-1-yl)pyridine~~-2~~-carboxylic+acid'>XXE</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]] 2.52Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">traE, B634_00049, BE957_00530, ECONIH1_27615, pec386IL_00125, pEcNDM0_00049, pHKU1_33, pKC394-028, pKC396-021, pMUR050_041, pN3_023 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=~~562~~ "~~Bacillus coli~~" ~~Migula 1895]~~)</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=XXE:4-(1H-pyrrol-1-yl)pyridine-2-carboxylic+acid'>XXE</scene></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=5wio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wio OCA], [~~http~~://pdbe.org/5wio PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5wio RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5wio PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5wio ProSAT]</span></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=5wio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wio OCA], [https://pdbe.org/5wio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wio RCSB], [https://www.ebi.ac.uk/pdbsum/5wio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wio ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q17U16_ECOLX Q17U16_ECOLX]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacillus~~ coli ~~migula 1895~~]]	+	[[Category: Escherichia coli]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Arya, T]]	+	[[Category: Arya T]]
-	[[Category: Baron, C]]	+	[[Category: Baron C]]
-	[[Category: Bessette, B]]	+	[[Category: Bessette B]]
-	[[Category: Casu, B]]	+	[[Category: Casu B]]
-	~~[[Category: Antimicrobial resistance]]~~	+
-	~~[[Category: Bacterial secretion]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Fragment-based drug design]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Protein transport]]~~	+
-	~~[[Category: Type iv secretion system]]~~	+
-	~~[[Category: Virb~~]]	+

OCA at 08:30, 8 January 2020

OCA — Wed, 08 Jan 2020 08:30:20 GMT

←Older revision		Revision as of 08:30, 8 January 2020
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	==TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid==		==TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid==
-	<StructureSection load='5wio' size='340' side='right' caption='[[5wio]], [[Resolution\|resolution]] 2.52Å' scene=''>	+	<StructureSection load='5wio' size='340' side='right'caption='[[5wio]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wio]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WIO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WIO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wio]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WIO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WIO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XXE:4-(1H-pyrrol-1-yl)pyridine-2-carboxylic+acid'>XXE</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XXE:4-(1H-pyrrol-1-yl)pyridine-2-carboxylic+acid'>XXE</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">traE, B634_00049, BE957_00530, ECONIH1_27615, pec386IL_00125, pEcNDM0_00049, pHKU1_33, pKC394-028, pKC396-021, pMUR050_041, pN3_023 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</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=5wio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wio OCA], [http://pdbe.org/5wio PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wio RCSB], [http://www.ebi.ac.uk/pdbsum/5wio PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wio 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=5wio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wio OCA], [http://pdbe.org/5wio PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wio RCSB], [http://www.ebi.ac.uk/pdbsum/5wio PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wio ProSAT]</span></td></tr>
	</table>		</table>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus coli migula 1895]]
		+	[[Category: Large Structures]]
	[[Category: Arya, T]]		[[Category: Arya, T]]
	[[Category: Baron, C]]		[[Category: Baron, C]]

OCA at 07:35, 15 November 2017

OCA — Wed, 15 Nov 2017 07:35:51 GMT

←Older revision		Revision as of 07:35, 15 November 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5wio is ~~ON HOLD until Paper~~ Publication	+	==TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid==
		+	<StructureSection load='5wio' size='340' side='right' caption='[[5wio]], [[Resolution\|resolution]] 2.52Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5wio]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WIO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WIO FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XXE:4-(1H-pyrrol-1-yl)pyridine-2-carboxylic+acid'>XXE</scene></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=5wio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wio OCA], [http://pdbe.org/5wio PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wio RCSB], [http://www.ebi.ac.uk/pdbsum/5wio PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wio ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The increasing frequency of antimicrobial resistance is a problem of global importance. Novel strategies are urgently needed to understand and inhibit antimicrobial resistance gene transmission that is mechanistically related to bacterial virulence functions. The conjugative transfer of plasmids by type IV secretion systems is a major contributor to antimicrobial resistance gene transfer. Here, we present a structure-based strategy to identify inhibitors of type IV secretion system-mediated bacterial conjugation. Using differential scanning fluorimetry we screened a fragment library and identified molecules that bind the essential TraE protein of the plasmid pKM101 conjugation machinery. Co-crystallization revealed that fragments bind two alternative sites of the protein and one of them is a novel inhibitor binding site. Based on the structural information on fragment binding we designed novel small molecules that have improved binding affinity. These molecules inhibit the dimerization of TraE, bind to both inhibitor binding sites on TraE and inhibit the conjugative transfer of plasmid pKM101. The strategy presented here is generally applicable for the structure-based design of inhibitors of antimicrobial resistance gene transfer and of bacterial virulence.

-	~~Authors: Casu~~, B., Arya, T., Bessette, B., Baron, C.	+	Fragment-based screening identifies novel targets for inhibitors of conjugative transfer of antimicrobial resistance by plasmid pKM101.,Casu B, Arya T, Bessette B, Baron C Sci Rep. 2017 Nov 2;7(1):14907. doi: 10.1038/s41598-017-14953-1. PMID:29097752<ref>PMID:29097752</ref>

-	~~Description: TraE protein in complex with 4~~-~~(1H~~-~~pyrrol-1-yl)pyridine-2-carboxylic acid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	~~[[Category: Bessette, B]]~~	+	<div class="pdbe-citations 5wio" style="background-color:#fffaf0;"></div>
-	~~[[Category: Baron, C]]~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Arya, T]]		[[Category: Arya, T]]
		+	[[Category: Baron, C]]
		+	[[Category: Bessette, B]]
	[[Category: Casu, B]]		[[Category: Casu, B]]
		+	[[Category: Antimicrobial resistance]]
		+	[[Category: Bacterial secretion]]
		+	[[Category: Complex]]
		+	[[Category: Fragment-based drug design]]
		+	[[Category: Inhibitor]]
		+	[[Category: Protein transport]]
		+	[[Category: Type iv secretion system]]
		+	[[Category: Virb]]

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

OCA — Wed, 27 Sep 2017 14:51:47 GMT

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

←Older revision

Revision as of 14:51, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5wio is ON HOLD until Paper Publication Authors: Casu, B., Arya, T., Bessette, B., Baron, C. Description: TraE protein in complex with 4-(1H-pyrrol...

OCA — Wed, 27 Sep 2017 14:51:45 GMT

New page: '''Unreleased structure''' The entry 5wio is ON HOLD until Paper Publication Authors: Casu, B., Arya, T., Bessette, B., Baron, C. Description: TraE protein in complex with 4-(1H-pyrrol...

New page

'''Unreleased structure'''

The entry 5wio is ON HOLD until Paper Publication

Authors: Casu, B., Arya, T., Bessette, B., Baron, C.

Description: TraE protein in complex with 4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
[[Category: Unreleased Structures]]
[[Category: Bessette, B]]
[[Category: Baron, C]]
[[Category: Arya, T]]
[[Category: Casu, B]]