6z17 - Revision history

OCA at 13:39, 24 January 2024

2024-01-24T13:39:45Z

←Older revision		Revision as of 13:39, 24 January 2024
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	<StructureSection load='6z17' size='340' side='right'caption='[[6z17]], [[Resolution\|resolution]] 3.15Å' scene=''>		<StructureSection load='6z17' size='340' side='right'caption='[[6z17]], [[Resolution\|resolution]] 3.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6z17]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Pseab Pseab~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z17 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Z17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z17]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_UCBPP-PA14 Pseudomonas aeruginosa UCBPP-PA14]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z17 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z17 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=Q4W:6-chloranyl-3~~-[~~(2-propan-2-yl-2,~~3~~-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one'>Q4W</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]] 3.15Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[6yz3\|6yz3]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q4W:6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one'>Q4W</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><~~b>[[Gene\|Gene~~:]~~]</b~~></td>~~<td class="sblockDat">mvfR, PA14_51340 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208963 PSEAB])~~</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=6z17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z17 OCA], [https://pdbe.org/6z17 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z17 RCSB], [https://www.ebi.ac.uk/pdbsum/6z17 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z17 ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6z17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z17 OCA], [~~http~~://pdbe.org/6z17 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6z17 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6z17 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6z17 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H2Z7A6_PSEAB A0A0H2Z7A6_PSEAB]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6z17" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6z17" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Transcriptional activator 3D structures\|Transcriptional activator 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pseab~~]]	+	[[Category: Pseudomonas aeruginosa UCBPP-PA14]]
-	[[Category: Emsley, J]]	+	[[Category: Emsley J]]
-	[[Category: Richardson~~, W K]]~~	+	[[Category: Richardson WK]]
-	~~[[Category: Antagonist]]~~	+
-	~~[[Category: Dna binding protein]]~~	+
-	~~[[Category: Pseudomonas aeruginosa]]~~	+
-	~~[[Category: Quorum sensing~~]]	+

OCA at 11:34, 23 September 2020

2020-09-23T11:34:10Z

←Older revision		Revision as of 11:34, 23 September 2020
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	==PqsR (MvfR) in complex with antagonist 6==		==PqsR (MvfR) in complex with antagonist 6==
-	<StructureSection load='6z17' size='340' side='right'caption='[[6z17]]' scene=''>	+	<StructureSection load='6z17' size='340' side='right'caption='[[6z17]], [[Resolution\|resolution]] 3.15Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z17 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Z17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z17]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseab Pseab]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z17 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Z17 FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6z17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z17 OCA], [http://pdbe.org/6z17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6z17 RCSB], [http://www.ebi.ac.uk/pdbsum/6z17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6z17 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q4W:6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one'>Q4W</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6yz3\|6yz3]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mvfR, PA14_51340 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208963 PSEAB])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6z17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z17 OCA], [http://pdbe.org/6z17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6z17 RCSB], [http://www.ebi.ac.uk/pdbsum/6z17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6z17 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Rising numbers of cases of multidrug- and extensively drug-resistant Pseudomonas aeruginosa over recent years have created an urgent need for novel therapeutic approaches to cure potentially fatal infections. One such approach is virulence attenuation where anti-virulence compounds, designed to reduce pathogenicity without affording bactericidal effects, are employed to treat infections. P. aeruginosa uses the pqs quorum sensing (QS) system, to coordinate the expression of a large number of virulence determinants as well as bacterial-host interactions and hence represents an excellent anti-virulence target. We report the synthesis and identification of a new series of thiazole-containing quinazolinones capable of inhibiting PqsR, the transcriptional regulator of the pqs QS system. The compounds demonstrated high potency (IC50 < 300 nM) in a whole-cell assay, using a mCTX:PpqsA-lux-based bioreporter for the P. aeruginosa PAO1-L and PA14 strains. Structural evaluation defined the binding modes of four analogues in the ligand-binding domain of PqsR through X-ray crystallography. Further work showed the ability of 6-chloro-3((2-pentylthiazol-4-yl)methyl)quinazolin-4(3H)-one (18) and 6-chloro-3((2-hexylthiazol-4-yl)methyl)quinazolin-4(3H)-one (19) to attenuate production of the PqsR-regulated virulence factor pyocyanin. Compounds 18 and 19 showed a low cytotoxic profile in the A549 human epithelial lung cell line making them suitable candidates for further pre-clinical evaluation.
		+
		+	Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.,Grossman S, Soukarieh F, Richardson W, Liu R, Mashabi A, Emsley J, Williams P, Camara M, Stocks MJ Eur J Med Chem. 2020 Aug 28;208:112778. doi: 10.1016/j.ejmech.2020.112778. PMID:32927392<ref>PMID:32927392</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6z17" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Emsley J]]	+	[[Category: Pseab]]
-	[[Category: Richardson WK]]	+	[[Category: Emsley, J]]
		+	[[Category: Richardson, W K]]
		+	[[Category: Antagonist]]
		+	[[Category: Dna binding protein]]
		+	[[Category: Pseudomonas aeruginosa]]
		+	[[Category: Quorum sensing]]

OCA at 09:52, 16 September 2020

2020-09-16T09:52:20Z

←Older revision		Revision as of 09:52, 16 September 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6z17 ~~is ON HOLD until Paper Publication~~	+	==PqsR (MvfR) in complex with antagonist 6==
-		+	<StructureSection load='6z17' size='340' side='right'caption='[[6z17]]' scene=''>
-	~~Authors~~: ~~Richardson~~, W.K., ~~Emsley~~, J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z17 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Z17 FirstGlance]. <br>
-	~~Description: PqsR (MvfR) in complex with antagonist 6~~	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6z17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z17 OCA], [http://pdbe.org/6z17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6z17 RCSB], [http://www.ebi.ac.uk/pdbsum/6z17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6z17 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Emsley, J]]	+	__TOC__
-	[[Category: Richardson~~, W.K~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Emsley J]]
		+	[[Category: Richardson WK]]

OCA at 07:40, 22 July 2020

2020-07-22T07:40:50Z

←Older revision		Revision as of 07:40, 22 July 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6z17 is ON HOLD	+	The entry 6z17 is ON HOLD until Paper Publication

	Authors: Richardson, W.K., Emsley, J.		Authors: Richardson, W.K., Emsley, J.

OCA: Protected "6z17" [edit=sysop:move=sysop]

2020-05-20T04:31:23Z

Protected "6z17" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:31, 20 May 2020

OCA: New page: '''Unreleased structure''' The entry 6z17 is ON HOLD Authors: Richardson, W.K., Emsley, J. Description: PqsR (MvfR) in complex with antagonist 6 Category: Unreleased Structures [[C...

2020-05-20T04:31:22Z

New page: '''Unreleased structure''' The entry 6z17 is ON HOLD Authors: Richardson, W.K., Emsley, J. Description: PqsR (MvfR) in complex with antagonist 6 Category: Unreleased Structures [[C...

New page

'''Unreleased structure'''

The entry 6z17 is ON HOLD

Authors: Richardson, W.K., Emsley, J.

Description: PqsR (MvfR) in complex with antagonist 6
[[Category: Unreleased Structures]]
[[Category: Emsley, J]]
[[Category: Richardson, W.K]]