3g1m - Revision history

OCA at 09:51, 21 February 2024

2024-02-21T09:51:56Z

←Older revision		Revision as of 09:51, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3g1m' size='340' side='right'caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3g1m' size='340' side='right'caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3g1m]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G1M FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3g1m]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G1M FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=RF3:1-(THIOPHEN-2-YLACETYL)-4-(3-THIOPHEN-2-YL~~-1~~,2,4-OXADIAZOL-5-YL)PIPERIDINE'>RF3</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]] 1.7Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;'>[[1u9n\|1u9n]]~~, ~~[[1u9o\|1u9o]]~~, ~~[[3g1l\|3g1l]], [[3g1o\|3g1o]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RF3:1-(THIOPHEN-2-YLACETYL)-4-(3-THIOPHEN-2-YL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE'>RF3</scene></td></tr>
-	~~<tr id='gene~~'>~~<td class="sblockLbl"><b>[[Gene\|Gene:]]~~</b>~~</td><td class="sblockDat">ethR, MT3970, Rv3855 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])~~</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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [https://pdbe.org/3g1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [https://www.ebi.ac.uk/pdbsum/3g1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g1m 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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [https://pdbe.org/3g1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [https://www.ebi.ac.uk/pdbsum/3g1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g1m ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3g1m ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3g1m ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The side effects associated with tuberculosis therapy bring with them the risk of noncompliance and subsequent drug resistance. Increasing the therapeutic index of antituberculosis drugs should thus improve treatment effectiveness. Several antituberculosis compounds require in situ metabolic activation to become inhibitory. Various thiocarbamide-containing drugs, including ethionamide, are activated by the mycobacterial monooxygenase EthA, the production of which is controlled by the transcriptional repressor EthR. Here we identify drug-like inhibitors of EthR that boost the bioactivation of ethionamide. Compounds designed and screened for their capacity to inhibit EthR-DNA interaction were co-crystallized with EthR. We exploited the three-dimensional structures of the complexes for the synthesis of improved analogs that boosted the ethionamide potency in culture more than tenfold. In Mycobacterium tuberculosis-infected mice, one of these analogs, BDM31343, enabled a substantially reduced dose of ethionamide to lessen the mycobacterial load as efficiently as the conventional higher-dose treatment. This provides proof of concept that inhibiting EthR improves the therapeutic index of thiocarbamide derivatives, which should prompt reconsideration of their use as first-line drugs.
-
-	Synthetic EthR inhibitors boost antituberculous activity of ethionamide.,Willand N, Dirie B, Carette X, Bifani P, Singhal A, Desroses M, Leroux F, Willery E, Mathys V, Deprez-Poulain R, Delcroix G, Frenois F, Aumercier M, Locht C, Villeret V, Deprez B, Baulard AR Nat Med. 2009 May;15(5):537-44. Epub 2009 May 3. PMID:19412174<ref>PMID:19412174</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3g1m" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 38:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Aumercier, M]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Baulard~~, A R~~]]	+	[[Category: Aumercier M]]
-	[[Category: Bifani, P]]	+	[[Category: Baulard AR]]
-	[[Category: Carette, X]]	+	[[Category: Bifani P]]
-	[[Category: Delcroix, G]]	+	[[Category: Carette X]]
-	[[Category: Deprez, B]]	+	[[Category: Delcroix G]]
-	[[Category: Deprez-Poulain, R]]	+	[[Category: Deprez B]]
-	[[Category: Desroses, M]]	+	[[Category: Deprez-Poulain R]]
-	[[Category: Dirie, B]]	+	[[Category: Desroses M]]
-	[[Category: Frenois, F]]	+	[[Category: Dirie B]]
-	[[Category: Leroux, F]]	+	[[Category: Frenois F]]
-	[[Category: Locht, C]]	+	[[Category: Leroux F]]
-	[[Category: Mathys, V]]	+	[[Category: Locht C]]
-	[[Category: Singhal, A]]	+	[[Category: Mathys V]]
-	[[Category: Villeret, V]]	+	[[Category: Singhal A]]
-	[[Category: Willand, N]]	+	[[Category: Villeret V]]
-	[[Category: Willery, E]]	+	[[Category: Willand N]]
-	~~[[Category: Dna-binding]]~~	+	[[Category: Willery E]]
-	~~[[Category: Tetr family]]~~	+
-	~~[[Category: Transcription]]~~	+
-	~~[[Category: Transcription regulation~~]]	+

OCA at 07:53, 9 March 2022

2022-03-09T07:53:41Z

←Older revision		Revision as of 07:53, 9 March 2022
Line 1:		Line 1:

	==EthR from Mycobacterium tuberculosis in complex with compound BDM31381==		==EthR from Mycobacterium tuberculosis in complex with compound BDM31381==
-	<StructureSection load='3g1m' size='340' side='right' caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='3g1m' size='340' side='right'caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3g1m]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3G1M FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3g1m]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G1M FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=RF3:1-(THIOPHEN-2-YLACETYL)-4-(3-THIOPHEN-2-YL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE'>RF3</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RF3:1-(THIOPHEN-2-YLACETYL)-4-(3-THIOPHEN-2-YL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE'>RF3</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u9n\|1u9n]], [[1u9o\|1u9o]], [[3g1l\|3g1l]], [[3g1o\|3g1o]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1u9n\|1u9n]], [[1u9o\|1u9o]], [[3g1l\|3g1l]], [[3g1o\|3g1o]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, MT3970, Rv3855 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, MT3970, Rv3855 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [~~http~~://pdbe.org/3g1m PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3g1m PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3g1m 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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [https://pdbe.org/3g1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [https://www.ebi.ac.uk/pdbsum/3g1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g1m 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>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/g1/3g1m_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/g1/3g1m_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 30:		Line 30:
	</div>		</div>
	<div class="pdbe-citations 3g1m" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3g1m" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tetracycline repressor protein 3D structures\|Tetracycline repressor protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Aumercier, M]]		[[Category: Aumercier, M]]
	[[Category: Baulard, A R]]		[[Category: Baulard, A R]]

OCA at 22:44, 5 August 2016

2016-08-05T22:44:29Z

←Older revision		Revision as of 22:44, 5 August 2016
Line 1:		Line 1:
		+
	==EthR from Mycobacterium tuberculosis in complex with compound BDM31381==		==EthR from Mycobacterium tuberculosis in complex with compound BDM31381==
	<StructureSection load='3g1m' size='340' side='right' caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3g1m' size='340' side='right' caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u9n\|1u9n]], [[1u9o\|1u9o]], [[3g1l\|3g1l]], [[3g1o\|3g1o]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u9n\|1u9n]], [[1u9o\|1u9o]], [[3g1l\|3g1l]], [[3g1o\|3g1o]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [http://www.ebi.ac.uk/pdbsum/3g1m PDBsum]</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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [http://pdbe.org/3g1m PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [http://www.ebi.ac.uk/pdbsum/3g1m PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3g1m ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3g1m ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 29:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3g1m" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:34, 25 December 2014

2014-12-25T22:34:29Z

←Older revision		Revision as of 22:34, 25 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}~~	+	==EthR from Mycobacterium tuberculosis in complex with compound BDM31381==
-	===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===	+	<StructureSection load='3g1m' size='340' side='right' caption='[[3g1m]], [[Resolution\|resolution]] 1.70Å' scene=''>
-	~~{{ABSTRACT_PUBMED_19412174}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3g1m]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G1M FirstGlance]. <br>
-	==Function==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=RF3:1-(THIOPHEN-2-YLACETYL)-4-(3-THIOPHEN-2-YL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE'>RF3</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1u9n\|1u9n]], [[1u9o\|1u9o]], [[3g1l\|3g1l]], [[3g1o\|3g1o]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ethR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3g1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g1m OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g1m RCSB], [http://www.ebi.ac.uk/pdbsum/3g1m PDBsum]</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>		[[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>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/g1/3g1m_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The side effects associated with tuberculosis therapy bring with them the risk of noncompliance and subsequent drug resistance. Increasing the therapeutic index of antituberculosis drugs should thus improve treatment effectiveness. Several antituberculosis compounds require in situ metabolic activation to become inhibitory. Various thiocarbamide-containing drugs, including ethionamide, are activated by the mycobacterial monooxygenase EthA, the production of which is controlled by the transcriptional repressor EthR. Here we identify drug-like inhibitors of EthR that boost the bioactivation of ethionamide. Compounds designed and screened for their capacity to inhibit EthR-DNA interaction were co-crystallized with EthR. We exploited the three-dimensional structures of the complexes for the synthesis of improved analogs that boosted the ethionamide potency in culture more than tenfold. In Mycobacterium tuberculosis-infected mice, one of these analogs, BDM31343, enabled a substantially reduced dose of ethionamide to lessen the mycobacterial load as efficiently as the conventional higher-dose treatment. This provides proof of concept that inhibiting EthR improves the therapeutic index of thiocarbamide derivatives, which should prompt reconsideration of their use as first-line drugs.

-	~~==About this Structure==~~	+	Synthetic EthR inhibitors boost antituberculous activity of ethionamide.,Willand N, Dirie B, Carette X, Bifani P, Singhal A, Desroses M, Leroux F, Willery E, Mathys V, Deprez-Poulain R, Delcroix G, Frenois F, Aumercier M, Locht C, Villeret V, Deprez B, Baulard AR Nat Med. 2009 May;15(5):537-44. Epub 2009 May 3. PMID:19412174<ref>PMID:19412174</ref>
-	~~[[3g1m]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/"bacillus_tuberculosis"_~~(~~zopf_1883~~)~~_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http~~:~~//oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=3G1M OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:019412174</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
-	[[Category: Aumercier, M.]]	+	== References ==
-	[[Category: Baulard, A R.]]	+	<references/>
-	[[Category: Bifani, P.]]	+	__TOC__
-	[[Category: Carette, X.]]	+	</StructureSection>
-	[[Category: Delcroix, G.]]	+	[[Category: Aumercier, M]]
-	[[Category: Deprez, B.]]	+	[[Category: Baulard, A R]]
-	[[Category: Deprez-Poulain, R.]]	+	[[Category: Bifani, P]]
-	[[Category: Desroses, M.]]	+	[[Category: Carette, X]]
-	[[Category: Dirie, B.]]	+	[[Category: Delcroix, G]]
-	[[Category: Frenois, F.]]	+	[[Category: Deprez, B]]
-	[[Category: Leroux, F.]]	+	[[Category: Deprez-Poulain, R]]
-	[[Category: Locht, C.]]	+	[[Category: Desroses, M]]
-	[[Category: Mathys, V.]]	+	[[Category: Dirie, B]]
-	[[Category: Singhal, A.]]	+	[[Category: Frenois, F]]
-	[[Category: Villeret, V.]]	+	[[Category: Leroux, F]]
-	[[Category: Willand, N.]]	+	[[Category: Locht, C]]
-	[[Category: Willery, E.]]	+	[[Category: Mathys, V]]
		+	[[Category: Singhal, A]]
		+	[[Category: Villeret, V]]
		+	[[Category: Willand, N]]
		+	[[Category: Willery, E]]
	[[Category: Dna-binding]]		[[Category: Dna-binding]]
	[[Category: Tetr family]]		[[Category: Tetr family]]
	[[Category: Transcription]]		[[Category: Transcription]]
	[[Category: Transcription regulation]]		[[Category: Transcription regulation]]

OCA at 13:45, 12 March 2014

2014-03-12T13:45:40Z

←Older revision		Revision as of 13:45, 12 March 2014
Line 1:		Line 1:
-	[[Image:3g1m.png\|left\|200px]]
-
	{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}		{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}
-
	===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===		===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===
		+	{{ABSTRACT_PUBMED_19412174}}

-	~~{{ABSTRACT_PUBMED_19412174}}~~	+	==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>

	==About this Structure==		==About this Structure==
-	[[3g1m]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium~~ tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA].	+	[[3g1m]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:019412174</ref><~~ref~~ group="xtra"~~>PMID:016243584<~~/~~ref><ref group="xtra">PMID:015494316</ref><ref group="xtra">PMID:014651620</ref~~><references ~~group="xtra"~~/>	+	<ref group="xtra">PMID:019412174</ref><references group="xtra"/><references/>
-	~~[[Category: Mycobacterium tuberculosis]]~~	+
	[[Category: Aumercier, M.]]		[[Category: Aumercier, M.]]
	[[Category: Baulard, A R.]]		[[Category: Baulard, A R.]]

OCA at 14:45, 20 February 2013

2013-02-20T14:45:52Z

←Older revision		Revision as of 14:45, 20 February 2013
Line 1:		Line 1:
	[[Image:3g1m.png\|left\|200px]]		[[Image:3g1m.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3g1m", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}		{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}

	===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===		===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19412174}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19412174 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19412174}}		{{ABSTRACT_PUBMED_19412174}}

Line 22:		Line 11:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19412174~~</ref><ref group="xtra">PMID:~~16243584~~</ref><ref group="xtra">PMID:~~15494316~~</ref><ref group="xtra">PMID:~~14651620~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019412174</ref><ref group="xtra">PMID:016243584</ref><ref group="xtra">PMID:015494316</ref><ref group="xtra">PMID:014651620</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Aumercier, M.]]		[[Category: Aumercier, M.]]

OCA: Protected "3g1m" [edit=sysop:move=sysop]

2011-03-14T23:42:25Z

Protected "3g1m" [edit=sysop:move=sysop]

←Older revision

Revision as of 23:42, 14 March 2011

OCA at 23:42, 14 March 2011

2011-03-14T23:42:23Z

←Older revision		Revision as of 23:42, 14 March 2011
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3g1m.png\|left\|200px]]
-	[[Image:3g1m.~~jpg~~\|left\|200px]]	+

	<!--		<!--
Line 20:		Line 19:

	==About this Structure==		==About this Structure==
-	~~3G1M~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA].	+	[[3g1m]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA].

	==Reference==		==Reference==
Line 46:		Line 45:
	[[Category: Transcription]]		[[Category: Transcription]]
	[[Category: Transcription regulation]]		[[Category: Transcription regulation]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 22 20:36:10 2009''

OCA at 17:36, 22 July 2009

2009-07-22T17:36:13Z

←Older revision		Revision as of 17:36, 22 July 2009
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3g1m.jpg\|left\|200px]]

-	The ~~entry 3g1m~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3g1m", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3g1m\| PDB=3g1m \| SCENE= }}

-	Authors: Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Poulain, R., Delcroix, G., Frenois, F., Aumercier, M., Locht, C., Villeret, V., Deprez, B., Baulard, A.R.	+	===EthR from Mycobacterium tuberculosis in complex with compound BDM31381===

-	Description: EthR from Mycobacterium tuberculosis in complex with compound BDM31381

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Feb 18 08~~:54:14 2009''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19412174}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19412174 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19412174}}
		+
		+	==About this Structure==
		+	3G1M is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G1M OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19412174</ref><ref group="xtra">PMID:16243584</ref><ref group="xtra">PMID:15494316</ref><ref group="xtra">PMID:14651620</ref><references group="xtra"/>
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Aumercier, M.]]
		+	[[Category: Baulard, A R.]]
		+	[[Category: Bifani, P.]]
		+	[[Category: Carette, X.]]
		+	[[Category: Delcroix, G.]]
		+	[[Category: Deprez, B.]]
		+	[[Category: Deprez-Poulain, R.]]
		+	[[Category: Desroses, M.]]
		+	[[Category: Dirie, B.]]
		+	[[Category: Frenois, F.]]
		+	[[Category: Leroux, F.]]
		+	[[Category: Locht, C.]]
		+	[[Category: Mathys, V.]]
		+	[[Category: Singhal, A.]]
		+	[[Category: Villeret, V.]]
		+	[[Category: Willand, N.]]
		+	[[Category: Willery, E.]]
		+	[[Category: Dna-binding]]
		+	[[Category: Tetr family]]
		+	[[Category: Transcription]]
		+	[[Category: Transcription regulation]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 22 20:36:10 2009''

OCA: New page: '''Unreleased structure''' The entry 3g1m is ON HOLD Authors: Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Pou...

2009-02-18T06:54:14Z

New page: '''Unreleased structure''' The entry 3g1m is ON HOLD Authors: Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Pou...

New page

'''Unreleased structure'''

The entry 3g1m is ON HOLD

Authors: Willand, N., Dirie, B., Carette, X., Bifani, P., Singhal, A., Desroses, M., Leroux, F., Willery, E., Mathys, V., Deprez-Poulain, R., Delcroix, G., Frenois, F., Aumercier, M., Locht, C., Villeret, V., Deprez, B., Baulard, A.R.

Description: EthR from Mycobacterium tuberculosis in complex with compound BDM31381

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 08:54:14 2009''