6q7w - Revision history

OCA at 11:54, 24 January 2024

OCA — Wed, 24 Jan 2024 11:54:59 GMT

←Older revision		Revision as of 11:54, 24 January 2024
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	<StructureSection load='6q7w' size='340' side='right'caption='[[6q7w]], [[Resolution\|resolution]] 2.82Å' scene=''>		<StructureSection load='6q7w' size='340' side='right'caption='[[6q7w]], [[Resolution\|resolution]] 2.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6q7w]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Pseae Pseae~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q7W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6Q7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6q7w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Q7W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HLQ:~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine'>HLQ</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]] 2.82Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mvfR, PA1003 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HLQ:~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine'>HLQ</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=6q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q7w OCA], [~~http~~://pdbe.org/6q7w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6q7w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6q7w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6q7w 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=6q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q7w OCA], [https://pdbe.org/6q7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6q7w RCSB], [https://www.ebi.ac.uk/pdbsum/6q7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6q7w ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/MVFR_PSEAE MVFR_PSEAE]] Transcription regulator that plays a critical role in virulence by positively regulating the expression of multiple quorum sensing (QS)-regulated virulence factors, genes involved in protein secretion, translation, response to oxidative stress and the phnAB operon (PubMed:11724939, PubMed:27678057, PubMed:17083468). At the stationary phase, negatively autoregulates its function through cleavage and translocation to the extracellular space (PubMed:11724939).<ref>PMID:11724939</ref> <ref>PMID:17083468</ref> <ref>PMID:27678057</ref>	+	[https://www.uniprot.org/uniprot/MVFR_PSEAE MVFR_PSEAE] Transcription regulator that plays a critical role in virulence by positively regulating the expression of multiple quorum sensing (QS)-regulated virulence factors, genes involved in protein secretion, translation, response to oxidative stress and the phnAB operon (PubMed:11724939, PubMed:27678057, PubMed:17083468). At the stationary phase, negatively autoregulates its function through cleavage and translocation to the extracellular space (PubMed:11724939).<ref>PMID:11724939</ref> <ref>PMID:17083468</ref> <ref>PMID:27678057</ref>
	<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 6q7w" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6q7w" 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: ~~Pseae~~]]	+	[[Category: Pseudomonas aeruginosa PAO1]]
-	[[Category: Blankenfeldt, W]]	+	[[Category: Blankenfeldt W]]
-	[[Category: Witzgall, F]]	+	[[Category: Witzgall F]]
-	~~[[Category: Dna binding protein]]~~	+
-	~~[[Category: Lttr]]~~	+
-	~~[[Category: Lysr-type transcriptional regulator]]~~	+
-	~~[[Category: Pseudomonas quinolone signaling system]]~~	+
-	~~[[Category: Quorum sensing~~]]	+

OCA at 09:04, 5 February 2020

OCA — Wed, 05 Feb 2020 09:04:31 GMT

←Older revision		Revision as of 09:04, 5 February 2020
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	<StructureSection load='6q7w' size='340' side='right'caption='[[6q7w]], [[Resolution\|resolution]] 2.82Å' scene=''>		<StructureSection load='6q7w' size='340' side='right'caption='[[6q7w]], [[Resolution\|resolution]] 2.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6q7w]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Q7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6q7w]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Q7W FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HLQ:~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine'>HLQ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HLQ:~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine'>HLQ</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mvfR, PA1003 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</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=6q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q7w OCA], [http://pdbe.org/6q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q7w RCSB], [http://www.ebi.ac.uk/pdbsum/6q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q7w 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=6q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q7w OCA], [http://pdbe.org/6q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q7w RCSB], [http://www.ebi.ac.uk/pdbsum/6q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q7w ProSAT]</span></td></tr>
	</table>		</table>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Pseae]]
	[[Category: Blankenfeldt, W]]		[[Category: Blankenfeldt, W]]
	[[Category: Witzgall, F]]		[[Category: Witzgall, F]]

OCA at 15:34, 20 November 2019

OCA — Wed, 20 Nov 2019 15:34:27 GMT

←Older revision		Revision as of 15:34, 20 November 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6q7w is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20==
		+	<StructureSection load='6q7w' size='340' side='right'caption='[[6q7w]], [[Resolution\|resolution]] 2.82Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6q7w]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Q7W FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HLQ:~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine'>HLQ</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=6q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q7w OCA], [http://pdbe.org/6q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6q7w RCSB], [http://www.ebi.ac.uk/pdbsum/6q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6q7w ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/MVFR_PSEAE MVFR_PSEAE]] Transcription regulator that plays a critical role in virulence by positively regulating the expression of multiple quorum sensing (QS)-regulated virulence factors, genes involved in protein secretion, translation, response to oxidative stress and the phnAB operon (PubMed:11724939, PubMed:27678057, PubMed:17083468). At the stationary phase, negatively autoregulates its function through cleavage and translocation to the extracellular space (PubMed:11724939).<ref>PMID:11724939</ref> <ref>PMID:17083468</ref> <ref>PMID:27678057</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Hit-to-lead optimization is a critical phase in drug discovery. Herein, we report on the fragment-based discovery and optimization of 2-amino pyridine derivatives as a novel lead-like structure for the treatment of the dangerous opportunistic pathogen Pseudomonas aeruginosa . We pursue an innovative treatment strategy by interfering with the Pseudomonas Quinolone Signal (PQS) Quorum Sensing (QS) system leading to an abolishment of bacterial pathogenicity. Our compounds act on the PQS receptor (PqsR), a key transcription factor controlling the expression of various pathogenicity determinants. In this target-driven approach, we made use of biophysical screening via surface plasmon resonance (SPR) followed by isothermal titration calorimetry (ITC)-enabled enthalpic efficiency (EE) evaluation. Hit optimization then involved growth vector identification and exploitation. Astonishingly, the latter was successfully achieved by introducing flexible linkers rather than rigid motifs leading to a boost in activity on the target receptor and anti-virulence potency.

-	~~Authors~~:	+	Flexible Fragment Growing Boosts Potency of Quorum Sensing Inhibitors against Pseudomonas aeruginosa Virulence.,Zender M, Witzgall F, Kiefer AF, Kirsch B, Maurer CK, Kany AM, Xu N, Schmelz S, Borger C, Blankenfeldt W, Empting M ChemMedChem. 2019 Nov 11. doi: 10.1002/cmdc.201900621. PMID:31709767<ref>PMID:31709767</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6q7w" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Blankenfeldt, W]]
		+	[[Category: Witzgall, F]]
		+	[[Category: Dna binding protein]]
		+	[[Category: Lttr]]
		+	[[Category: Lysr-type transcriptional regulator]]
		+	[[Category: Pseudomonas quinolone signaling system]]
		+	[[Category: Quorum sensing]]

OCA at 06:55, 26 December 2018

OCA — Wed, 26 Dec 2018 06:55:22 GMT

←Older revision		Revision as of 06:55, 26 December 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6q7w is ON HOLD	+	The entry 6q7w is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6q7w" [edit=sysop:move=sysop]

OCA — Wed, 19 Dec 2018 06:50:41 GMT

Protected "6q7w" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:50, 19 December 2018

OCA: New page: '''Unreleased structure''' The entry 6q7w is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 19 Dec 2018 06:50:39 GMT

New page: '''Unreleased structure''' The entry 6q7w is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6q7w is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]