3vw9 - Revision history

OCA at 12:40, 8 November 2023

2023-11-08T12:40:06Z

←Older revision		Revision as of 12:40, 8 November 2023
Line 3:		Line 3:
	<StructureSection load='3vw9' size='340' side='right'caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>		<StructureSection load='3vw9' size='340' side='right'caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.47Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [https://pdbe.org/3vw9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [https://www.ebi.ac.uk/pdbsum/3vw9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vw9 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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [https://pdbe.org/3vw9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [https://www.ebi.ac.uk/pdbsum/3vw9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vw9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/LGUL_HUMAN LGUL_HUMAN]] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.<ref>PMID:19199007</ref>	+	[https://www.uniprot.org/uniprot/LGUL_HUMAN LGUL_HUMAN] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.<ref>PMID:19199007</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Lactoylglutathione lyase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Fukami~~, T A~~]]	+	[[Category: Fukami TA]]
-	[[Category: Irie, M]]	+	[[Category: Irie M]]
-	[[Category: Matsuura, T]]	+	[[Category: Matsuura T]]
-	~~[[Category: Glyoxalase]]~~	+
-	~~[[Category: Lyase-lyase inhibitor complex~~]]	+

OCA at 19:07, 27 July 2022

2022-07-27T19:07:28Z

←Older revision		Revision as of 19:07, 27 July 2022
Line 1:		Line 1:

	==Human Glyoxalase I with an N-hydroxypyridone inhibitor==		==Human Glyoxalase I with an N-hydroxypyridone inhibitor==
-	<StructureSection load='3vw9' size='340' side='right' caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>	+	<StructureSection load='3vw9' size='340' side='right'caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [~~http~~://pdbe.org/3vw9 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3vw9 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3vw9 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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [https://pdbe.org/3vw9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [https://www.ebi.ac.uk/pdbsum/3vw9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vw9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/LGUL_HUMAN LGUL_HUMAN]] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.<ref>PMID:19199007</ref>	+	[[https://www.uniprot.org/uniprot/LGUL_HUMAN LGUL_HUMAN]] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.<ref>PMID:19199007</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 3vw9" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3vw9" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Glyoxalase 3D structures\|Glyoxalase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	[[Category: Human]]		[[Category: Human]]
	[[Category: Lactoylglutathione lyase]]		[[Category: Lactoylglutathione lyase]]
		+	[[Category: Large Structures]]
	[[Category: Fukami, T A]]		[[Category: Fukami, T A]]
	[[Category: Irie, M]]		[[Category: Irie, M]]

OCA at 03:08, 5 August 2016

2016-08-05T03:08:33Z

←Older revision		Revision as of 03:08, 5 August 2016
Line 1:		Line 1:
		+
	==Human Glyoxalase I with an N-hydroxypyridone inhibitor==		==Human Glyoxalase I with an N-hydroxypyridone inhibitor==
	<StructureSection load='3vw9' size='340' side='right' caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>		<StructureSection load='3vw9' size='340' side='right' caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [http://www.ebi.ac.uk/pdbsum/3vw9 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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [http://pdbe.org/3vw9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [http://www.ebi.ac.uk/pdbsum/3vw9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3vw9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 3vw9" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Lactoylglutathione lyase]]		[[Category: Lactoylglutathione lyase]]
	[[Category: Fukami, T A]]		[[Category: Fukami, T A]]

OCA at 22:21, 24 December 2014

2014-12-24T22:21:44Z

←Older revision		Revision as of 22:21, 24 December 2014
Line 8:		Line 8:
	<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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [http://www.ebi.ac.uk/pdbsum/3vw9 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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [http://www.ebi.ac.uk/pdbsum/3vw9 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LGUL_HUMAN LGUL_HUMAN]] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B.<ref>PMID:19199007</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 15:25, 9 December 2014

2014-12-09T15:25:44Z

←Older revision		Revision as of 15:25, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3vw9.~~jpg~~\|~~left~~\|~~200px~~]]	+	==Human Glyoxalase I with an N-hydroxypyridone inhibitor==
		+	<StructureSection load='3vw9' size='340' side='right' caption='[[3vw9]], [[Resolution\|resolution]] 1.47Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3vw9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VW9 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=HPJ:1-HYDROXY-6-[1-(3-METHOXYPROPYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-4-PHENYLPYRIDIN-2(1H)-ONE'>HPJ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">GLO1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lactoylglutathione_lyase Lactoylglutathione lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.5 4.4.1.5] </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=3vw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vw9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vw9 RCSB], [http://www.ebi.ac.uk/pdbsum/3vw9 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We conducted a high throughput screening for glyoxalase I (GLO1) inhibitors and identified 4,6-diphenyl-N-hydroxypyridone as a lead compound. Using a binding model of the lead and public X-ray coordinates of GLO1 enzymes complexed with glutathione analogues, we designed 4-(7-azaindole)-substituted 6-phenyl-N-hydroxypyridones. 7-Azaindole's 7-nitrogen was expected to interact with a water network, resulting in an interaction with the protein. We validated this inhibitor design by comparing its structure-activity relationship (SAR) with that of corresponding indole derivatives, by analyzing the binding mode with X-ray crystallography and by evaluating its thermodynamic binding parameters.

-	~~{{STRUCTURE_3vw9\| PDB=3vw9 \| SCENE= }}~~	+	Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors.,Chiba T, Ohwada J, Sakamoto H, Kobayashi T, Fukami TA, Irie M, Miura T, Ohara K, Koyano H Bioorg Med Chem Lett. 2012 Dec 15;22(24):7486-9. doi: 10.1016/j.bmcl.2012.10.045., Epub 2012 Oct 17. PMID:23122816<ref>PMID:23122816</ref>

-	~~===Human Glyoxalase I with an N-hydroxypyridone inhibitor===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_23122816}}~~	+	== References ==
-		+	<references/>
-	==~~About this Structure~~==	+	__TOC__
-	~~[[3vw9]] is a 2 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA].~~	+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Lactoylglutathione lyase]]		[[Category: Lactoylglutathione lyase]]
-	[[Category: Fukami, T A.]]	+	[[Category: Fukami, T A]]
-	[[Category: Irie, M.]]	+	[[Category: Irie, M]]
-	[[Category: Matsuura, T.]]	+	[[Category: Matsuura, T]]
	[[Category: Glyoxalase]]		[[Category: Glyoxalase]]
	[[Category: Lyase-lyase inhibitor complex]]		[[Category: Lyase-lyase inhibitor complex]]

OCA at 21:18, 12 December 2012

2012-12-12T21:18:44Z

←Older revision		Revision as of 21:18, 12 December 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3vw9.jpg\|left\|200px]]

-	~~The entry~~ 3vw9 ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_3vw9\| PDB=3vw9 \| SCENE= }}

-	~~Authors: Fukami, T.A., Irie, M., Matsuura, T.~~	+	===Human Glyoxalase I with an N-hydroxypyridone inhibitor===

-	~~Description~~: ~~Human~~ Glyoxalase ~~I with an N~~-~~hydroxypyridone~~ inhibitor	+	{{ABSTRACT_PUBMED_23122816}}
		+
		+	==About this Structure==
		+	[[3vw9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VW9 OCA].
		+	[[Category: Homo sapiens]]
		+	[[Category: Lactoylglutathione lyase]]
		+	[[Category: Fukami, T A.]]
		+	[[Category: Irie, M.]]
		+	[[Category: Matsuura, T.]]
		+	[[Category: Glyoxalase]]
		+	[[Category: Lyase-lyase inhibitor complex]]

OCA at 04:41, 5 September 2012

2012-09-05T04:41:18Z

←Older revision		Revision as of 04:41, 5 September 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3vw9 is ON HOLD	+	The entry 3vw9 is ON HOLD until Paper Publication

	Authors: Fukami, T.A., Irie, M., Matsuura, T.		Authors: Fukami, T.A., Irie, M., Matsuura, T.

	Description: Human Glyoxalase I with an N-hydroxypyridone inhibitor		Description: Human Glyoxalase I with an N-hydroxypyridone inhibitor

OCA at 04:32, 29 August 2012

2012-08-29T04:32:36Z

←Older revision		Revision as of 04:32, 29 August 2012
Line 5:		Line 5:
	Authors: Fukami, T.A., Irie, M., Matsuura, T.		Authors: Fukami, T.A., Irie, M., Matsuura, T.

-	Description: ~~human~~ Glyoxalase I with an N-hydroxypyridone inhibitor	+	Description: Human Glyoxalase I with an N-hydroxypyridone inhibitor

OCA: Protected "3vw9" [edit=sysop:move=sysop]

2012-08-22T05:19:46Z

Protected "3vw9" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:19, 22 August 2012

OCA: New page: '''Unreleased structure''' The entry 3vw9 is ON HOLD Authors: Fukami, T.A., Irie, M., Matsuura, T. Description: human Glyoxalase I with an N-hydroxypyridone inhibitor

2012-08-22T05:19:45Z

New page: '''Unreleased structure''' The entry 3vw9 is ON HOLD Authors: Fukami, T.A., Irie, M., Matsuura, T. Description: human Glyoxalase I with an N-hydroxypyridone inhibitor

New page

'''Unreleased structure'''

The entry 3vw9 is ON HOLD

Authors: Fukami, T.A., Irie, M., Matsuura, T.

Description: human Glyoxalase I with an N-hydroxypyridone inhibitor