3saz - Revision history

OCA at 12:52, 14 March 2024

OCA — Thu, 14 Mar 2024 12:52:28 GMT

←Older revision		Revision as of 12:52, 14 March 2024
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	<StructureSection load='3saz' size='340' side='right'caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3saz' size='340' side='right'caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=043:4~~-~~(3-BROMOPHENYL)-2~~,~~4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 2.04Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([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~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9]~~ </~~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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [https://pdbe.org/3saz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [https://www.ebi.ac.uk/pdbsum/3saz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3saz 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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [https://pdbe.org/3saz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [https://www.ebi.ac.uk/pdbsum/3saz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3saz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/MASZ_MYCTU MASZ_MYCTU]] Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA (By similarity).[HAMAP-Rule:MF_00641]	+	[https://www.uniprot.org/uniprot/MASZ_MYCTU MASZ_MYCTU] Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA (By similarity).[HAMAP-Rule:MF_00641]
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	The glyoxylate shunt plays an important role in fatty acid metabolism and has been shown to be critical to survival of several pathogens involved in chronic infections. For Mycobacterium tuberculosis (Mtb), a strain with a defective glyoxylate shunt was previously shown to be unable to establish infection in a mouse model. We report the development of phenyl-diketo acid (PDKA) inhibitors of malate synthase (GlcB), one of two glyoxylate shunt enzymes, using structure-based methods. PDKA inhibitors were active against Mtb grown on acetate, and overexpression of GlcB ameliorated this inhibition. Crystal structures of complexes of GlcB with PDKA inhibitors guided optimization of potency. A selected PDKA compound demonstrated efficacy in a mouse model of tuberculosis. The discovery of these PDKA derivatives provides chemical validation of GlcB as an attractive target for tuberculosis therapeutics.	+
-		+
-	Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.,Krieger IV, Freundlich JS, Gawandi VB, Roberts JP, Gawandi VB, Sun Q, Owen JL, Fraile MT, Huss SI, Lavandera JL, Ioerger TR, Sacchettini JC Chem Biol. 2012 Dec 21;19(12):1556-67. doi: 10.1016/j.chembiol.2012.09.018. PMID:23261599<ref>PMID:23261599</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3saz" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Malate synthase 3D structures\|Malate synthase 3D structures]]		*[[Malate synthase 3D structures\|Malate synthase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Malate synthase~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Krieger~~, I V~~]]	+	[[Category: Krieger IV]]
-	[[Category: Sacchettini~~, J C~~]]	+	[[Category: Sacchettini JC]]
-	[[Category: Sun, Q]]	+	[[Category: Sun Q]]
-	~~[[Category: XMTB, Mycobacterium Tuberculosis Structural Proteomics Project]]~~	+
-	~~[[Category: Inhibitor complex]]~~	+
-	~~[[Category: Mycobacterium tuberculosis structural proteomics project]]~~	+
-	~~[[Category: Structural genomic]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex]]~~	+
-	~~[[Category: Xmtb~~]]	+

OCA at 07:49, 29 June 2022

OCA — Wed, 29 Jun 2022 07:49:19 GMT

←Older revision		Revision as of 07:49, 29 June 2022
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	<StructureSection load='3saz' size='340' side='right'caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3saz' size='340' side='right'caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([~~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">glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [~~http~~://pdbe.org/3saz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3saz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3saz 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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [https://pdbe.org/3saz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [https://www.ebi.ac.uk/pdbsum/3saz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3saz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/MASZ_MYCTU MASZ_MYCTU]] Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA (By similarity).[HAMAP-Rule:MF_00641]	+	[[https://www.uniprot.org/uniprot/MASZ_MYCTU MASZ_MYCTU]] Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA (By similarity).[HAMAP-Rule:MF_00641]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[Malate synthase\|Malate synthase]]	+	*[[Malate synthase 3D structures\|Malate synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:38, 17 July 2019

OCA — Wed, 17 Jul 2019 11:38:21 GMT

←Older revision		Revision as of 11:38, 17 July 2019
Line 1:		Line 1:

	==Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor==		==Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor==
-	<StructureSection load='3saz' size='340' side='right' caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>	+	<StructureSection load='3saz' size='340' side='right'caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Malate synthase]]		[[Category: Malate synthase]]
	[[Category: Krieger, I V]]		[[Category: Krieger, I V]]

OCA at 05:58, 5 August 2016

OCA — Fri, 05 Aug 2016 05:58:07 GMT

←Older revision		Revision as of 05:58, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor==		==Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor==
	<StructureSection load='3saz' size='340' side='right' caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3saz' size='340' side='right' caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 ~~Mycobacterium~~ tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [http://www.ebi.ac.uk/pdbsum/3saz 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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [http://pdbe.org/3saz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [http://www.ebi.ac.uk/pdbsum/3saz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3saz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 3saz" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 27:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Malate synthase]]		[[Category: Malate synthase]]
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Krieger, I V]]		[[Category: Krieger, I V]]
	[[Category: Sacchettini, J C]]		[[Category: Sacchettini, J C]]

OCA at 16:19, 25 December 2014

OCA — Thu, 25 Dec 2014 16:19:41 GMT

←Older revision		Revision as of 16:19, 25 December 2014
Line 9:		Line 9:
	<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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [http://www.ebi.ac.uk/pdbsum/3saz 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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [http://www.ebi.ac.uk/pdbsum/3saz PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/MASZ_MYCTU MASZ_MYCTU]] Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA (By similarity).[HAMAP-Rule:MF_00641]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 11:37, 9 December 2014

OCA — Tue, 09 Dec 2014 11:37:49 GMT

←Older revision		Revision as of 11:37, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3saz.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor==
		+	<StructureSection load='3saz' size='340' side='right' caption='[[3saz]], [[Resolution\|resolution]] 2.04Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3saz]] 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=3SAZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SAZ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=043:4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOIC+ACID'>043</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1n8i\|1n8i]], [[1n8w\|1n8w]], [[2gq3\|2gq3]], [[3s9i\|3s9i]], [[3s9z\|3s9z]], [[3sad\|3sad]], [[3sb0\|3sb0]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">glcB, GlcB (Rv1837c), MT1885, MTCY1A11.06, Rv1837c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </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=3saz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3saz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3saz RCSB], [http://www.ebi.ac.uk/pdbsum/3saz PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The glyoxylate shunt plays an important role in fatty acid metabolism and has been shown to be critical to survival of several pathogens involved in chronic infections. For Mycobacterium tuberculosis (Mtb), a strain with a defective glyoxylate shunt was previously shown to be unable to establish infection in a mouse model. We report the development of phenyl-diketo acid (PDKA) inhibitors of malate synthase (GlcB), one of two glyoxylate shunt enzymes, using structure-based methods. PDKA inhibitors were active against Mtb grown on acetate, and overexpression of GlcB ameliorated this inhibition. Crystal structures of complexes of GlcB with PDKA inhibitors guided optimization of potency. A selected PDKA compound demonstrated efficacy in a mouse model of tuberculosis. The discovery of these PDKA derivatives provides chemical validation of GlcB as an attractive target for tuberculosis therapeutics.

-	~~{{STRUCTURE_3saz\| PDB=3saz \| SCENE= }}~~	+	Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.,Krieger IV, Freundlich JS, Gawandi VB, Roberts JP, Gawandi VB, Sun Q, Owen JL, Fraile MT, Huss SI, Lavandera JL, Ioerger TR, Sacchettini JC Chem Biol. 2012 Dec 21;19(12):1556-67. doi: 10.1016/j.chembiol.2012.09.018. PMID:23261599<ref>PMID:23261599</ref>

-	~~===Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2~~,~~4-dioxobutanoic acid inhibitor===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_23261599}}~~	+	==See Also==
-		+	*[[Malate synthase\|Malate synthase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3saz~~]] ~~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=3SAZ OCA].~~	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Malate synthase]]		[[Category: Malate synthase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Krieger, I V.]]	+	[[Category: Krieger, I V]]
-	[[Category: Sacchettini, J C.]]	+	[[Category: Sacchettini, J C]]
-	[[Category: Sun, Q.]]	+	[[Category: Sun, Q]]
-	[[Category: XMTB, Mycobacterium Tuberculosis Structural Proteomics Project.]]	+	[[Category: XMTB, Mycobacterium Tuberculosis Structural Proteomics Project]]
	[[Category: Inhibitor complex]]		[[Category: Inhibitor complex]]
-	[[Category: Malate synthase]]
	[[Category: Mycobacterium tuberculosis structural proteomics project]]		[[Category: Mycobacterium tuberculosis structural proteomics project]]
	[[Category: Structural genomic]]		[[Category: Structural genomic]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]
	[[Category: Xmtb]]		[[Category: Xmtb]]

OCA at 12:41, 20 February 2013

OCA — Wed, 20 Feb 2013 12:41:42 GMT

←Older revision		Revision as of 12:41, 20 February 2013
Line 5:		Line 5:
	===Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor===		===Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor===

		+	{{ABSTRACT_PUBMED_23261599}}

	==About this Structure==		==About this Structure==

OCA at 09:52, 21 November 2012

OCA — Wed, 21 Nov 2012 09:52:32 GMT

←Older revision		Revision as of 09:52, 21 November 2012
Line 1:		Line 1:
-	[[Image:3saz.~~jpg~~\|left\|200px]]	+	[[Image:3saz.png\|left\|200px]]

	{{STRUCTURE_3saz\| PDB=3saz \| SCENE= }}		{{STRUCTURE_3saz\| PDB=3saz \| SCENE= }}

OCA at 13:56, 8 November 2012

OCA — Thu, 08 Nov 2012 13:56:22 GMT

←Older revision		Revision as of 13:56, 8 November 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3saz.jpg\|left\|200px]]

-	~~The entry~~ 3saz ~~is ON HOLD~~ ~~until Nov 01 2013~~	+	{{STRUCTURE_3saz\| PDB=3saz \| SCENE= }}

-	~~Authors: Krieger, I.V., Sun, Q., Sacchettini, J.C.,~~ Mycobacterium ~~Tuberculosis Structural Proteomics Project~~ (~~XMTB~~)	+	===Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor===

-	~~Description: Crystal~~ structure of Mycobacterium tuberculosis ~~malate~~ synthase in complex ~~with 4-(3~~-~~bromophenyl)-2,4-dioxobutanoic acid~~ inhibitor	+
		+	==About this Structure==
		+	[[3saz]] 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=3SAZ OCA].
		+	[[Category: Malate synthase]]
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Krieger, I V.]]
		+	[[Category: Sacchettini, J C.]]
		+	[[Category: Sun, Q.]]
		+	[[Category: XMTB, Mycobacterium Tuberculosis Structural Proteomics Project.]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Malate synthase]]
		+	[[Category: Mycobacterium tuberculosis structural proteomics project]]
		+	[[Category: Structural genomic]]
		+	[[Category: Transferase-transferase inhibitor complex]]
		+	[[Category: Xmtb]]

OCA at 08:23, 31 October 2012

OCA — Wed, 31 Oct 2012 08:23:29 GMT

←Older revision		Revision as of 08:23, 31 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3saz is ON HOLD until ~~Oct 28~~ 2013	+	The entry 3saz is ON HOLD until Nov 01 2013

	Authors: Krieger, I.V., Sun, Q., Sacchettini, J.C., Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)		Authors: Krieger, I.V., Sun, Q., Sacchettini, J.C., Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)

	Description: Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor		Description: Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor