5myn - Revision history

OCA at 17:54, 8 November 2023

OCA — Wed, 08 Nov 2023 17:54:17 GMT

←Older revision		Revision as of 17:54, 8 November 2023
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	<StructureSection load='5myn' size='340' side='right'caption='[[5myn]], [[Resolution\|resolution]] 1.56Å' scene=''>		<StructureSection load='5myn' size='340' side='right'caption='[[5myn]], [[Resolution\|resolution]] 1.56Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5myn]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MYN OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5MYN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5myn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MYN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5MYN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZUF:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine'>ZUF</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]] 1.564Å</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=5myn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5myn OCA], [~~http~~://pdbe.org/5myn PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5myn RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5myn PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5myn ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZUF:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine'>ZUF</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=5myn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5myn OCA], [https://pdbe.org/5myn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5myn RCSB], [https://www.ebi.ac.uk/pdbsum/5myn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5myn ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>	+	[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</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 5myn" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5myn" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tetracycline repressor protein 3D structures\|Tetracycline repressor protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Blaszczyk, M]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	[[Category: Blundell~~, T L~~]]	+	[[Category: Blaszczyk M]]
-	[[Category: Mendes, V]]	+	[[Category: Blundell TL]]
-	[[Category: Mugumbate, G]]	+	[[Category: Mendes V]]
-	~~[[Category: Ethr]]~~	+	[[Category: Mugumbate G]]
-	~~[[Category: Mycobacterium tuberculosis]]~~	+
-	~~[[Category: Represor]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 07:32, 19 August 2020

OCA — Wed, 19 Aug 2020 07:32:31 GMT

←Older revision		Revision as of 07:32, 19 August 2020
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	==Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution==		==Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution==
-	<StructureSection load='5myn' size='340' side='right' caption='[[5myn]], [[Resolution\|resolution]] 1.56Å' scene=''>	+	<StructureSection load='5myn' size='340' side='right'caption='[[5myn]], [[Resolution\|resolution]] 1.56Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5myn]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MYN OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5MYN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5myn]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MYN OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5MYN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZUF:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine'>ZUF</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZUF:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine'>ZUF</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=5myn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5myn OCA], [http://pdbe.org/5myn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5myn RCSB], [http://www.ebi.ac.uk/pdbsum/5myn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5myn 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=5myn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5myn OCA], [http://pdbe.org/5myn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5myn RCSB], [http://www.ebi.ac.uk/pdbsum/5myn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5myn ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Blaszczyk, M]]		[[Category: Blaszczyk, M]]
	[[Category: Blundell, T L]]		[[Category: Blundell, T L]]

OCA at 06:56, 25 October 2017

OCA — Wed, 25 Oct 2017 06:56:40 GMT

←Older revision		Revision as of 06:56, 25 October 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5myn is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution==
		+	<StructureSection load='5myn' size='340' side='right' caption='[[5myn]], [[Resolution\|resolution]] 1.56Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5myn]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MYN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MYN FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZUF:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine'>ZUF</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=5myn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5myn OCA], [http://pdbe.org/5myn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5myn RCSB], [http://www.ebi.ac.uk/pdbsum/5myn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5myn ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mycobacterium phenotypic hits are a good reservoir for new chemotypes for the treatment of tuberculosis. However, the absence of defined molecular targets and modes of action could lead to failure in drug development. Therefore, a combination of ligand-based and structure-based chemogenomic approaches followed by biophysical and biochemical validation have been used to identify targets for Mycobacterium tuberculosis phenotypic hits. Our approach identified EthR and InhA as targets for several hits, with some showing dual activity against these proteins. From the 35 predicted EthR inhibitors, eight exhibited an IC50 below 50 muM against M. tuberculosis EthR and three were confirmed to be also simultaneously active against InhA. Further hit validation was performed using X-ray crystallography yielding eight new crystal structures of EthR inhibitors. Although the EthR inhibitors attain their activity against M. tuberculosis by hitting yet undefined targets, these results provide new lead compounds that could be further developed to be used to potentiate the effect of EthA activated pro-drugs, such as ethionamide, thus enhancing their bactericidal effect.

-	~~Authors: Blaszczyk~~, M., ~~Mendes~~, V., ~~Mugumbate~~, G., Blundell, T.L.	+	Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.,Mugumbate G, Mendes V, Blaszczyk M, Sabbah M, Papadatos G, Lelievre J, Ballell L, Barros D, Abell C, Blundell TL, Overington JP Front Pharmacol. 2017 Sep 26;8:681. doi: 10.3389/fphar.2017.00681. eCollection, 2017. PMID:29018348<ref>PMID:29018348</ref>

-	~~Description: Structure~~ of ~~Transcriptional Regulatory Repressor Protein -EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1~~.~~56A resolution~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Blundell, T.L]]~~	+	<div class="pdbe-citations 5myn" style="background-color:#fffaf0;"></div>
-	~~[[Category: Mendes, V]]~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Blaszczyk, M]]		[[Category: Blaszczyk, M]]
		+	[[Category: Blundell, T L]]
		+	[[Category: Mendes, V]]
	[[Category: Mugumbate, G]]		[[Category: Mugumbate, G]]
		+	[[Category: Ethr]]
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Represor]]
		+	[[Category: Transcription]]

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

OCA — Thu, 09 Mar 2017 11:48:15 GMT

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

←Older revision

Revision as of 11:48, 9 March 2017

OCA: New page: '''Unreleased structure''' The entry 5myn is ON HOLD until Paper Publication Authors: Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L. Description: Structure of Transcriptional...

OCA — Thu, 09 Mar 2017 11:48:14 GMT

New page: '''Unreleased structure''' The entry 5myn is ON HOLD until Paper Publication Authors: Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L. Description: Structure of Transcriptional...

New page

'''Unreleased structure'''

The entry 5myn is ON HOLD until Paper Publication

Authors: Blaszczyk, M., Mendes, V., Mugumbate, G., Blundell, T.L.

Description: Structure of Transcriptional Regulatory Repressor Protein -EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution
[[Category: Unreleased Structures]]
[[Category: Blundell, T.L]]
[[Category: Mendes, V]]
[[Category: Blaszczyk, M]]
[[Category: Mugumbate, G]]