6hnz - Revision history

OCA at 11:34, 24 January 2024

OCA — Wed, 24 Jan 2024 11:34:07 GMT

←Older revision		Revision as of 11:34, 24 January 2024
Line 1:		Line 1:

	==TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231==		==TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231==
-	<StructureSection load='6hnz' size='340' side='right' caption='[[6hnz]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='6hnz' size='340' side='right'caption='[[6hnz]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hnz]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6HNZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hnz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_CDC1551 Mycobacterium tuberculosis CDC1551]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6HNZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GH5:4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one'>GH5</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='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=6hnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnz OCA], [~~http~~://pdbe.org/6hnz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6hnz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6hnz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnz ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GH5:4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one'>GH5</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=6hnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnz OCA], [https://pdbe.org/6hnz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6hnz RCSB], [https://www.ebi.ac.uk/pdbsum/6hnz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/~~ETHR_MYCTO ETHR_MYCTO]~~] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).	+	[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 ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6hnz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6hnz" 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: ~~Wintjens, R~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Wohlkonig, A~~]]	+	[[Category: Mycobacterium tuberculosis CDC1551]]
-	[[Category: ~~Complex~~]]	+	[[Category: Wintjens R]]
-	[[Category: ~~Dna binding protein]]~~	+	[[Category: Wohlkonig A]]
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Ethionamide]]~~	+
-	~~[[Category: Helix-turn-helix]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Tetr-family]]~~	+
-	~~[[Category: Tuberculosis~~]]	+

OCA at 08:22, 26 December 2018

OCA — Wed, 26 Dec 2018 08:22:39 GMT

←Older revision		Revision as of 08:22, 26 December 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6hnz is ~~ON HOLD~~	+	==TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231==
		+	<StructureSection load='6hnz' size='340' side='right' caption='[[6hnz]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6hnz]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HNZ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GH5:4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one'>GH5</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=6hnz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnz OCA], [http://pdbe.org/6hnz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hnz RCSB], [http://www.ebi.ac.uk/pdbsum/6hnz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnz ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ETHR_MYCTO ETHR_MYCTO]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The Mycobacterium tuberculosis EthR is a member of the TetR family of repressors, controlling the expression of EthA, a mono-oxygenase responsible for the bioactivation of the prodrug ethionamide. This protein was established as a promising therapeutic target against tuberculosis, allowing, when inhibited by a drug-like molecule, to boost the action of ethionamide. Dozens of EthR crystal structures have been solved in complex with ligands. Herein, we disclose EthR structures in complex with 18 different small molecules and then performed in-depth analysis on the complete set of EthR structures that provides insights on EthR-ligand interactions. The 81 molecules solved in complex with EthR show a large diversity of chemical structures that were split up into several chemical clusters. Two of the most striking common points of EthR-ligand interactions are the quasi-omnipresence of a hydrogen bond bridging compounds with Asn(179) and the high occurrence of pi-pi interactions involving Phe(110). A systematic analysis of the protein-ligand contacts identified eight hot spot residues that defined the basic structural features governing the binding mode of small molecules to EthR. Implications for the design of new potent inhibitors are discussed.

-	~~Authors: Wintjens, R~~., ~~Wohlkonig~~, A.	+	A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.,Tanina A, Wohlkonig A, Soror SH, Flipo M, Villemagne B, Prevet H, Deprez B, Moune M, Peree H, Meyer F, Baulard AR, Willand N, Wintjens R Biochim Biophys Acta Proteins Proteom. 2018 Dec 13. pii: S1570-9639(18)30212-7., doi: 10.1016/j.bbapap.2018.12.003. PMID:30553830<ref>PMID:30553830</ref>

-	~~Description: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Wohlkonig, A]]~~	+	<div class="pdbe-citations 6hnz" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Wintjens, R]]		[[Category: Wintjens, R]]
		+	[[Category: Wohlkonig, A]]
		+	[[Category: Complex]]
		+	[[Category: Dna binding protein]]
		+	[[Category: Drug design]]
		+	[[Category: Ethionamide]]
		+	[[Category: Helix-turn-helix]]
		+	[[Category: Inhibitor]]
		+	[[Category: Tetr-family]]
		+	[[Category: Tuberculosis]]

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

OCA — Wed, 26 Sep 2018 06:13:57 GMT

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

←Older revision

Revision as of 06:13, 26 September 2018

OCA: New page: '''Unreleased structure''' The entry 6hnz is ON HOLD Authors: Wintjens, R., Wohlkonig, A. Description: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BD...

OCA — Wed, 26 Sep 2018 06:13:56 GMT

New page: '''Unreleased structure''' The entry 6hnz is ON HOLD Authors: Wintjens, R., Wohlkonig, A. Description: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BD...

New page

'''Unreleased structure'''

The entry 6hnz is ON HOLD

Authors: Wintjens, R., Wohlkonig, A.

Description: TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231
[[Category: Unreleased Structures]]
[[Category: Wohlkonig, A]]
[[Category: Wintjens, R]]