4p8p - Revision history

OCA at 00:41, 28 December 2023

OCA — Thu, 28 Dec 2023 00:41:20 GMT

←Older revision		Revision as of 00:41, 28 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4p8p]] is a 2 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=4P8P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P8P FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p8p]] is a 2 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=4P8P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P8P FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</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]] 2.2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [https://pdbe.org/4p8p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [https://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p 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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [https://pdbe.org/4p8p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [https://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:47, 1 February 2023

OCA — Wed, 01 Feb 2023 12:47:19 GMT

←Older revision		Revision as of 12:47, 1 February 2023
Line 1:		Line 1:

	==Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127==		==Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127==
-	<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='4p8p' size='340' side='right'caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p8p]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P8P OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4P8P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p8p]] is a 2 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=4P8P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P8P FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [https://pdbe.org/4p8p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [https://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">dprE1, Rv3790, MT3898 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [~~http~~://pdbe.org/4p8p PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p ProSAT]</span></td></tr>	+
	</table>		</table>
-	== Function ==
-	[[http://www.uniprot.org/uniprot/DPRE1_MYCTU DPRE1_MYCTU]] Involved in the epimerization of decaprenylphosphoryl ribose (DPR) to decaprenylphosphoryl arabinose (DPA) a precursor for arabinan synthesis in mycobacterial cell wall biosynthesis. Probably catalyzes the oxidation at C-2 of decaprenylphosphoryl ribose (DPR) to yield decaprenylphosphoryl 2-keto-ribose (DPX).<ref>PMID:16291675</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Myctu~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Cole, S T~~]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	[[Category: ~~Neres, J~~]]	+	[[Category: Cole ST]]
-	[[Category: ~~Pojer, F~~]]	+	[[Category: Neres J]]
-	[[Category: ~~Complex]]~~	+	[[Category: Pojer F]]
-	~~[[Category: Dpre1]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Non-covalent]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 08:36, 22 November 2017

OCA — Wed, 22 Nov 2017 08:36:13 GMT

←Older revision		Revision as of 08:36, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p8p]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P8P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P8P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p8p]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P8P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P8P FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">dprE1, Rv3790, MT3898 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://pdbe.org/4p8p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p 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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://pdbe.org/4p8p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p ProSAT]</span></td></tr>
	</table>		</table>
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Myctu]]
	[[Category: Cole, S T]]		[[Category: Cole, S T]]
	[[Category: Neres, J]]		[[Category: Neres, J]]

OCA at 17:10, 4 January 2017

OCA — Wed, 04 Jan 2017 17:10:48 GMT

←Older revision		Revision as of 17:10, 4 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127==		==Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127==
	<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p 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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://pdbe.org/4p8p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p8p ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 4p8p" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 21:05, 24 December 2014

OCA — Wed, 24 Dec 2014 21:05:48 GMT

←Older revision		Revision as of 21:05, 24 December 2014
Line 7:		Line 7:
	<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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p 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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DPRE1_MYCTU DPRE1_MYCTU]] Involved in the epimerization of decaprenylphosphoryl ribose (DPR) to decaprenylphosphoryl arabinose (DPA) a precursor for arabinan synthesis in mycobacterial cell wall biosynthesis. Probably catalyzes the oxidation at C-2 of decaprenylphosphoryl ribose (DPR) to yield decaprenylphosphoryl 2-keto-ribose (DPX).<ref>PMID:16291675</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 16:10, 10 December 2014

OCA — Wed, 10 Dec 2014 16:10:14 GMT

←Older revision		Revision as of 16:10, 10 December 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127==
		+	<StructureSection load='4p8p' size='340' side='right' caption='[[4p8p]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4p8p]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P8P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P8P FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=RG2:3-[(4-CHLOROBENZYL)AMINO]-6-(TRIFLUOROMETHYL)QUINOXALINE-2-CARBOXYLIC+ACID'>RG2</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4p8c\|4p8c]], [[4p8h\|4p8h]], [[4p8k\|4p8k]], [[4p8l\|4p8l]], [[4p8m\|4p8m]], [[4p8n\|4p8n]], [[4p8t\|4p8t]], [[4p8y\|4p8y]]</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=4p8p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p8p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p8p RCSB], [http://www.ebi.ac.uk/pdbsum/4p8p PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Phenotypic screening of a quinoxaline library against replicating Mycobacterium tuberculosis led to the identification of lead compound Ty38c (3-((4-methoxybenzyl)amino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid). With an MIC99 and MBC of 3.1 muM, Ty38c is bactericidal and active against intracellular bacteria. To investigate its mechanism of action, we isolated mutants resistant to Ty38c and sequenced their genomes. Mutations were found in rv3405c, coding for the transcriptional repressor of the divergently expressed rv3406 gene. Biochemical studies clearly showed that Rv3406 decarboxylates Ty38c into its inactive keto metabolite. The actual target was then identified by isolating Ty38c-resistant mutants of an M. tuberculosis strain lacking rv3406. Here, mutations were found in dprE1, encoding the decaprenylphosphoryl-d-ribose oxidase DprE1, essential for biogenesis of the mycobacterial cell wall. Genetics, biochemical validation, and X-ray crystallography revealed Ty38c to be a noncovalent, noncompetitive DprE1 inhibitor. Structure-activity relationship studies generated a family of DprE1 inhibitors with a range of IC50's and bactericidal activity. Co-crystal structures of DprE1 in complex with eight different quinoxaline analogs provided a high-resolution interaction map of the active site of this extremely vulnerable target in M. tuberculosis.

-	~~The entry 4p8p is ON HOLD until Paper Publication~~	+	2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.,Neres J, Hartkoorn RC, Chiarelli LR, Gadupudi R, Pasca MR, Mori G, Venturelli A, Savina S, Makarov V, Kolly GS, Molteni E, Binda C, Dhar N, Ferrari S, Brodin P, Delorme V, Landry V, de Jesus Lopes Ribeiro AL, Farina D, Saxena P, Pojer F, Carta A, Luciani R, Porta A, Zanoni G, De Rossi E, Costi MP, Riccardi G, Cole ST ACS Chem Biol. 2014 Dec 9. PMID:25427196<ref>PMID:25427196</ref>

-	~~Authors: Neres~~, J.~~, Pojer, F~~., Cole, S.T.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of M. tuberculosis DprE1 in complex with the non~~-covalent inhibitor ~~QN127~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Cole, S T]]
		+	[[Category: Neres, J]]
		+	[[Category: Pojer, F]]
		+	[[Category: Complex]]
		+	[[Category: Dpre1]]
		+	[[Category: Inhibitor]]
		+	[[Category: Non-covalent]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 07:41, 7 May 2014

OCA — Wed, 07 May 2014 07:41:12 GMT

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-	The entry 4p8p is ON HOLD	+	The entry 4p8p is ON HOLD until Paper Publication

	Authors: Neres, J., Pojer, F., Cole, S.T.		Authors: Neres, J., Pojer, F., Cole, S.T.

	Description: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127		Description: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127

OCA: Protected "4p8p" [edit=sysop:move=sysop]

OCA — Wed, 09 Apr 2014 05:54:12 GMT

Protected "4p8p" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:54, 9 April 2014

OCA: New page: '''Unreleased structure''' The entry 4p8p is ON HOLD Authors: Neres, J., Pojer, F., Cole, S.T. Description: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent ...

OCA — Wed, 09 Apr 2014 05:54:11 GMT

New page: '''Unreleased structure''' The entry 4p8p is ON HOLD Authors: Neres, J., Pojer, F., Cole, S.T. Description: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent ...

New page

'''Unreleased structure'''

The entry 4p8p is ON HOLD

Authors: Neres, J., Pojer, F., Cole, S.T.

Description: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127