6deo - Revision history

OCA at 06:04, 11 October 2023

OCA — Wed, 11 Oct 2023 06:04:45 GMT

←Older revision		Revision as of 06:04, 11 October 2023
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	<StructureSection load='6deo' size='340' side='right'caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>		<StructureSection load='6deo' size='340' side='right'caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Canal Canal~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6DEO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Candida_albicans_SC5314 Candida albicans SC5314]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6DEO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=H4V:methyl+2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate'>H4V</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TP9:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL+TRIHYDROGEN+DIPHOSPHATE'>TP9</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]] 1.971Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ILV2, orf19.1613, CAALFM_C302320WA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237561 CANAL])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=H4V:methyl+2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate'>H4V</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TP9:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL+TRIHYDROGEN+DIPHOSPHATE'>TP9</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetolactate_synthase Acetolactate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.2.1.6 2.2.1.6] </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=6deo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6deo OCA], [https://pdbe.org/6deo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6deo RCSB], [https://www.ebi.ac.uk/pdbsum/6deo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6deo 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=6deo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6deo OCA], [~~http~~://pdbe.org/6deo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6deo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6deo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6deo ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A1D8PJF9_CANAL A0A1D8PJF9_CANAL]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Acetolactate synthase]]~~	+	[[Category: Candida albicans SC5314]]
-	~~[[Category: Canal~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Garcia~~, M D~~]]	+	[[Category: Garcia MD]]
-	[[Category: Guddat~~, L W]]~~	+	[[Category: Guddat LW]]
-	~~[[Category: Acetohydroxyacid synthase]]~~	+
-	~~[[Category: Aha]]~~	+
-	~~[[Category: Fad]]~~	+
-	~~[[Category: Herbicide]]~~	+
-	~~[[Category: Thiamin diphosphate]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 08:51, 8 January 2020

OCA — Wed, 08 Jan 2020 08:51:10 GMT

←Older revision		Revision as of 08:51, 8 January 2020
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	==Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron methyl==		==Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron methyl==
-	<StructureSection load='6deo' size='340' side='right' caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>	+	<StructureSection load='6deo' size='340' side='right'caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DEO FirstGlance]. <br>		<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DEO FirstGlance]. <br>
Line 24:		Line 24:
	[[Category: Acetolactate synthase]]		[[Category: Acetolactate synthase]]
	[[Category: Canal]]		[[Category: Canal]]
		+	[[Category: Large Structures]]
	[[Category: Garcia, M D]]		[[Category: Garcia, M D]]
	[[Category: Guddat, L W]]		[[Category: Guddat, L W]]

OCA at 08:32, 10 October 2018

OCA — Wed, 10 Oct 2018 08:32:30 GMT

←Older revision		Revision as of 08:32, 10 October 2018
Line 3:		Line 3:
	<StructureSection load='6deo' size='340' side='right' caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>		<StructureSection load='6deo' size='340' side='right' caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DEO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DEO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=H4V:methyl+2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate'>H4V</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TP9:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL+TRIHYDROGEN+DIPHOSPHATE'>TP9</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=H4V:methyl+2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate'>H4V</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TP9:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL+TRIHYDROGEN+DIPHOSPHATE'>TP9</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ILV2, orf19.1613, CAALFM_C302320WA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237561 CANAL])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetolactate_synthase Acetolactate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.2.1.6 2.2.1.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetolactate_synthase Acetolactate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.2.1.6 2.2.1.6] </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=6deo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6deo OCA], [http://pdbe.org/6deo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6deo RCSB], [http://www.ebi.ac.uk/pdbsum/6deo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6deo 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=6deo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6deo OCA], [http://pdbe.org/6deo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6deo RCSB], [http://www.ebi.ac.uk/pdbsum/6deo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6deo ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The increased prevalence of drug-resistant human pathogenic fungal diseases poses a major threat to global human health. Thus, new drugs are urgently required to combat these infections. Here, we demonstrate that acetohydroxyacid synthase (AHAS), the first enzyme in the branched-chain amino acid biosynthesis pathway, is a promising new target for antifungal drug discovery. First, we show that several AHAS inhibitors developed as commercial herbicides are powerful accumulative inhibitors of Candida albicans AHAS (Ki values as low as 800 pM) and have determined high-resolution crystal structures of this enzyme in complex with several of these herbicides. In addition, we have demonstrated that chlorimuron ethyl (CE), a member of the sulfonylurea herbicide family, has potent antifungal activity against five different Candida species and Cryptococcus neoformans (with minimum inhibitory concentration, 50% values as low as 7 nM). Furthermore, in these assays, we have shown CE and itraconazole (a P450 inhibitor) can act synergistically to further improve potency. Finally, we show in Candida albicans-infected mice that CE is highly effective in clearing pathogenic fungal burden in the lungs, liver, and spleen, thus reducing overall mortality rates. Therefore, in view of their low toxicity to human cells, AHAS inhibitors represent a new class of antifungal drug candidates.
		+
		+	Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.,Garcia MD, Chua SMH, Low YS, Lee YT, Agnew-Francis K, Wang JG, Nouwens A, Lonhienne T, Williams CM, Fraser JA, Guddat LW Proc Natl Acad Sci U S A. 2018 Sep 24. pii: 1809422115. doi:, 10.1073/pnas.1809422115. PMID:30249642<ref>PMID:30249642</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6deo" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Acetolactate synthase]]		[[Category: Acetolactate synthase]]
		+	[[Category: Canal]]
	[[Category: Garcia, M D]]		[[Category: Garcia, M D]]
	[[Category: Guddat, L W]]		[[Category: Guddat, L W]]

OCA at 08:03, 26 September 2018

OCA — Wed, 26 Sep 2018 08:03:26 GMT

←Older revision		Revision as of 08:03, 26 September 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6deo is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron methyl==
-		+	<StructureSection load='6deo' size='340' side='right' caption='[[6deo]], [[Resolution\|resolution]] 1.97Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6deo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DEO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DEO FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=H4V:methyl+2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate'>H4V</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TP9:(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL+TRIHYDROGEN+DIPHOSPHATE'>TP9</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetolactate_synthase Acetolactate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.2.1.6 2.2.1.6] </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=6deo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6deo OCA], [http://pdbe.org/6deo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6deo RCSB], [http://www.ebi.ac.uk/pdbsum/6deo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6deo ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Acetolactate synthase]]
		+	[[Category: Garcia, M D]]
		+	[[Category: Guddat, L W]]
		+	[[Category: Acetohydroxyacid synthase]]
		+	[[Category: Aha]]
		+	[[Category: Fad]]
		+	[[Category: Herbicide]]
		+	[[Category: Thiamin diphosphate]]
		+	[[Category: Transferase]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 03:58, 20 June 2018

OCA — Wed, 20 Jun 2018 03:58:37 GMT

←Older revision		Revision as of 03:58, 20 June 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6deo is ON HOLD	+	The entry 6deo is ON HOLD until Paper Publication

	Authors:		Authors:

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

OCA — Wed, 23 May 2018 06:01:07 GMT

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

←Older revision

Revision as of 06:01, 23 May 2018

OCA: New page: '''Unreleased structure''' The entry 6deo is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 23 May 2018 06:01:05 GMT

New page: '''Unreleased structure''' The entry 6deo is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6deo is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]