3eek - Revision history

OCA at 09:47, 21 February 2024

OCA — Wed, 21 Feb 2024 09:47:09 GMT

←Older revision		Revision as of 09:47, 21 February 2024
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	<StructureSection load='3eek' size='340' side='right'caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>		<StructureSection load='3eek' size='340' side='right'caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3eek]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Atcc_2001 Atcc 2001~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EEK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3eek]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Candida_glabrata Candida glabrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EEK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=53S:5-[(3R)-3-(5-METHOXY-4-METHYLBIPHENYL-3-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE'>53S</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 2.03Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=53S:5-[(3R)-3-(5-METHOXY-4-METHYLBIPHENYL-3-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE'>53S</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])~~</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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [https://pdbe.org/3eek PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [https://www.ebi.ac.uk/pdbsum/3eek PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eek 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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [https://pdbe.org/3eek PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [https://www.ebi.ac.uk/pdbsum/3eek PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eek ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q6FPH0_CANGA Q6FPH0_CANGA]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3eek ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3eek ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Candida glabrata, a fungal strain resistant to many commonly administered antifungal agents, has become an emerging threat to human health. In previous work, we validated that the essential enzyme, dihydrofolate reductase, is a drug target in C. glabrata. Using a crystal structure of dihydrofolate reductase from C. glabrata bound to an initial lead compound, we designed a class of biphenyl antifolates that potently and selectively inhibit both the enzyme and the growth of the fungal culture. In this work, we explore the structure-activity relationships of this class of antifolates with four new high resolution crystal structures of enzyme:inhibitor complexes and the synthesis of four new inhibitors. The designed inhibitors are intended to probe key hydrophobic pockets visible in the crystal structure. The crystal structures and an evaluation of the new compounds reveal that methyl groups at the meta and para positions of the distal phenyl ring achieve the greatest number of interactions with the pathogenic enzyme and the greatest degree of selectivity over the human enzyme. Additionally, antifungal activity can be tuned with substitution patterns at the propargyl and para-phenyl positions.
-
-	Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors.,Liu J, Bolstad DB, Smith AE, Priestley ND, Wright DL, Anderson AC Chem Biol Drug Des. 2009 Jan;73(1):62-74. PMID:19152636<ref>PMID:19152636</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3eek" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]		*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Atcc 2001]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Anderson, A]]	+	[[Category: Anderson A]]
-	[[Category: Liu, J]]	+	[[Category: Liu J]]
-	~~[[Category: Enzyme]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 11:47, 16 February 2022

OCA — Wed, 16 Feb 2022 11:47:54 GMT

←Older revision		Revision as of 11:47, 16 February 2022
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	==Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH==		==Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH==
-	<StructureSection load='3eek' size='340' side='right' caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>	+	<StructureSection load='3eek' size='340' side='right'caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3eek]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Atcc_2001 Atcc 2001]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3EEK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3eek]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Atcc_2001 Atcc 2001]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EEK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=53S:5-[(3R)-3-(5-METHOXY-4-METHYLBIPHENYL-3-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE'>53S</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=53S:5-[(3R)-3-(5-METHOXY-4-METHYLBIPHENYL-3-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE'>53S</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [~~http~~://pdbe.org/3eek PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3eek PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3eek 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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [https://pdbe.org/3eek PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [https://www.ebi.ac.uk/pdbsum/3eek PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eek ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 13:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ee/3eek_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ee/3eek_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 28:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 3eek" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3eek" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 33:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Atcc 2001]]		[[Category: Atcc 2001]]
		+	[[Category: Large Structures]]
	[[Category: Anderson, A]]		[[Category: Anderson, A]]
	[[Category: Liu, J]]		[[Category: Liu, J]]
	[[Category: Enzyme]]		[[Category: Enzyme]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 09:09, 25 October 2017

OCA — Wed, 25 Oct 2017 09:09:27 GMT

←Older revision		Revision as of 09:09, 25 October 2017
Line 1:		Line 1:
		+
	==Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH==		==Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH==
	<StructureSection load='3eek' size='340' side='right' caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>		<StructureSection load='3eek' size='340' side='right' caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [http://pdbe.org/3eek PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [http://www.ebi.ac.uk/pdbsum/3eek 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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [http://pdbe.org/3eek PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [http://www.ebi.ac.uk/pdbsum/3eek PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3eek ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	</div>		</div>
	<div class="pdbe-citations 3eek" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3eek" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 03:03, 8 February 2016

OCA — Mon, 08 Feb 2016 03:03:32 GMT

←Older revision		Revision as of 03:03, 8 February 2016
Line 6:		Line 6:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [http://www.ebi.ac.uk/pdbsum/3eek 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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [http://pdbe.org/3eek PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [http://www.ebi.ac.uk/pdbsum/3eek PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 16:		Line 16:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3eek ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 26:		Line 26:
	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 3eek" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 08:27, 20 January 2015

OCA — Tue, 20 Jan 2015 08:27:14 GMT

←Older revision		Revision as of 08:27, 20 January 2015
Line 1:		Line 1:
-	~~{{STRUCTURE_3eek\| PDB=3eek \| SCENE= }}~~	+	==Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH==
-	===Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH===	+	<StructureSection load='3eek' size='340' side='right' caption='[[3eek]], [[Resolution\|resolution]] 2.03Å' scene=''>
-	~~{{ABSTRACT_PUBMED_19152636}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3eek]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_2001 Atcc 2001]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EEK FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=53S:5-[(3R)-3-(5-METHOXY-4-METHYLBIPHENYL-3-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE'>53S</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eej\|3eej]], [[3eel\|3eel]], [[3eem\|3eem]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CAGL0J03894g ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5478 ATCC 2001])</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=3eek FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eek OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eek RCSB], [http://www.ebi.ac.uk/pdbsum/3eek PDBsum]</span></td></tr>
		+	</table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ee/3eek_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Candida glabrata, a fungal strain resistant to many commonly administered antifungal agents, has become an emerging threat to human health. In previous work, we validated that the essential enzyme, dihydrofolate reductase, is a drug target in C. glabrata. Using a crystal structure of dihydrofolate reductase from C. glabrata bound to an initial lead compound, we designed a class of biphenyl antifolates that potently and selectively inhibit both the enzyme and the growth of the fungal culture. In this work, we explore the structure-activity relationships of this class of antifolates with four new high resolution crystal structures of enzyme:inhibitor complexes and the synthesis of four new inhibitors. The designed inhibitors are intended to probe key hydrophobic pockets visible in the crystal structure. The crystal structures and an evaluation of the new compounds reveal that methyl groups at the meta and para positions of the distal phenyl ring achieve the greatest number of interactions with the pathogenic enzyme and the greatest degree of selectivity over the human enzyme. Additionally, antifungal activity can be tuned with substitution patterns at the propargyl and para-phenyl positions.

-	~~==About this Structure==~~	+	Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors.,Liu J, Bolstad DB, Smith AE, Priestley ND, Wright DL, Anderson AC Chem Biol Drug Des. 2009 Jan;73(1):62-74. PMID:19152636<ref>PMID:19152636</ref>
-	~~[[3eek]] is a 2 chain structure~~ with ~~sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Atcc_2001 Atcc 2001]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=3EEK OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:019152636</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Atcc 2001]]		[[Category: Atcc 2001]]
-	[[Category: Anderson, A.]]	+	[[Category: Anderson, A]]
-	[[Category: Liu, J.]]	+	[[Category: Liu, J]]
	[[Category: Enzyme]]		[[Category: Enzyme]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 11:54, 20 November 2013

OCA — Wed, 20 Nov 2013 11:54:56 GMT

←Older revision		Revision as of 11:54, 20 November 2013
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-	[[Image:3eek.png\|left\|200px]]
-
	{{STRUCTURE_3eek\| PDB=3eek \| SCENE= }}		{{STRUCTURE_3eek\| PDB=3eek \| SCENE= }}
-
	===Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH===		===Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH===
-
	{{ABSTRACT_PUBMED_19152636}}		{{ABSTRACT_PUBMED_19152636}}

	==About this Structure==		==About this Structure==
-	[[3eek]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Candida_glabrata Candida glabrata~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].	+	[[3eek]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_2001 Atcc 2001]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].

	==See Also==		==See Also==
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	==Reference==		==Reference==
-	<ref group="xtra">PMID:019152636</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019152636</ref><references group="xtra"/><references/>
-	[[Category: ~~Candida glabrata~~]]	+	[[Category: Atcc 2001]]
	[[Category: Anderson, A.]]		[[Category: Anderson, A.]]
	[[Category: Liu, J.]]		[[Category: Liu, J.]]
	[[Category: Enzyme]]		[[Category: Enzyme]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 08:41, 20 October 2012

OCA — Sat, 20 Oct 2012 08:41:22 GMT

←Older revision		Revision as of 08:41, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3eek]] is a 2 chain structure ~~of [[Dihydrofolate reductase]]~~ with sequence from [http://en.wikipedia.org/wiki/Candida_glabrata Candida glabrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].	+	[[3eek]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Candida_glabrata Candida glabrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].

	==See Also==		==See Also==

OCA at 20:26, 25 July 2012

OCA — Wed, 25 Jul 2012 20:26:31 GMT

←Older revision		Revision as of 20:26, 25 July 2012
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	[[Image:3eek.png\|left\|200px]]		[[Image:3eek.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3eek", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3eek\| PDB=3eek \| SCENE= }}		{{STRUCTURE_3eek\| PDB=3eek \| SCENE= }}

	===Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH===		===Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(4-methylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP111D4M) and NADPH===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19152636}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19152636 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19152636}}		{{ABSTRACT_PUBMED_19152636}}

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	==See Also==		==See Also==
-	*[[Dihydrofolate reductase]]	+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19152636~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019152636</ref><references group="xtra"/>
	[[Category: Candida glabrata]]		[[Category: Candida glabrata]]
	[[Category: Anderson, A.]]		[[Category: Anderson, A.]]

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

OCA — Mon, 27 Dec 2010 00:25:26 GMT

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

←Older revision

Revision as of 00:25, 27 December 2010

OCA at 00:25, 27 December 2010

OCA — Mon, 27 Dec 2010 00:25:24 GMT

←Older revision		Revision as of 00:25, 27 December 2010
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-	~~{{Seed}}~~	+	[[Image:3eek.png\|left\|200px]]
-	[[Image:3eek.~~jpg~~\|left\|200px]]	+

	<!--		<!--
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	==About this Structure==		==About this Structure==
-	~~3EEK~~ is a 2 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Candida_glabrata Candida glabrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].	+	[[3eek]] is a 2 chain structure of [[Dihydrofolate reductase]] with sequence from [http://en.wikipedia.org/wiki/Candida_glabrata Candida glabrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EEK OCA].
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase]]

	==Reference==		==Reference==
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	[[Category: Enzyme]]		[[Category: Enzyme]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 19 13:12:51 2009''