4ky4 - Revision history

OCA at 16:07, 20 September 2023

2023-09-20T16:07:03Z

←Older revision		Revision as of 16:07, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</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]] 2.79Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [https://pdbe.org/4ky4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [https://www.ebi.ac.uk/pdbsum/4ky4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ky4 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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [https://pdbe.org/4ky4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [https://www.ebi.ac.uk/pdbsum/4ky4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ky4 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 09:20, 7 December 2022

2022-12-07T09:20:48Z

←Older revision		Revision as of 09:20, 7 December 2022
Line 3:		Line 3:
	<StructureSection load='4ky4' size='340' side='right'caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='4ky4' size='340' side='right'caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Toxgo Toxgo~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]~~</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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [https://pdbe.org/4ky4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [https://www.ebi.ac.uk/pdbsum/4ky4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ky4 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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [~~http~~://pdbe.org/4ky4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4ky4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4ky4 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/DRTS_TOXGO DRTS_TOXGO]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, DNA precursor synthesis, and for the conversion of dUMP to dTMP (By similarity).	+	[https://www.uniprot.org/uniprot/DRTS_TOXGO DRTS_TOXGO] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, DNA precursor synthesis, and for the conversion of dUMP to dTMP (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Toxgo~~]]	+	[[Category: Toxoplasma gondii]]
-	[[Category: Anderson~~, K S~~]]	+	[[Category: Anderson KS]]
-	[[Category: Sharma, H]]	+	[[Category: Sharma H]]
-	~~[[Category: Bifunctional]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Synthase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:26, 13 February 2020

2020-02-13T05:26:15Z

←Older revision		Revision as of 05:26, 13 February 2020
Line 1:		Line 1:

	==Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR==		==Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR==
-	<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>	+	<StructureSection load='4ky4' size='340' side='right'caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4ky4" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4ky4" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Toxgo]]		[[Category: Toxgo]]
	[[Category: Anderson, K S]]		[[Category: Anderson, K S]]

OCA at 09:28, 15 November 2017

2017-11-15T09:28:34Z

←Older revision		Revision as of 09:28, 15 November 2017
Line 3:		Line 3:
	<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4ky4" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4ky4" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Toxgo]]
	[[Category: Anderson, K S]]		[[Category: Anderson, K S]]
	[[Category: Sharma, H]]		[[Category: Sharma, H]]

OCA at 21:56, 5 August 2016

2016-08-05T21:56:13Z

←Older revision		Revision as of 21:56, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR==		==Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR==
	<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ky4 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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [http://pdbe.org/4ky4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ky4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ky4 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4ky4" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 06:10, 25 December 2014

2014-12-25T06:10:01Z

←Older revision		Revision as of 06:10, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ky4 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=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ky4 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DRTS_TOXGO DRTS_TOXGO]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, DNA precursor synthesis, and for the conversion of dUMP to dTMP (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Anderson, K S.]]	+	[[Category: Anderson, K S]]
-	[[Category: Sharma, H.]]	+	[[Category: Sharma, H]]
	[[Category: Bifunctional]]		[[Category: Bifunctional]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Synthase]]		[[Category: Synthase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 02:20, 7 August 2014

2014-08-07T02:20:03Z

←Older revision		Revision as of 02:20, 7 August 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR==
		+	<StructureSection load='4ky4' size='340' side='right' caption='[[4ky4]], [[Resolution\|resolution]] 2.79Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4ky4]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KY4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KY4 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=04J:AMINOPTERIN'>04J</scene>, <scene name='pdbligand=1UE:2-AMINO-5-(PHENYLSULFANYL)-3,9-DIHYDRO-4H-PYRIMIDO[4,5-B]INDOL-4-ONE'>1UE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4eil\|4eil]], [[4kya\|4kya]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ky4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ky4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ky4 RCSB], [http://www.ebi.ac.uk/pdbsum/4ky4 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Infection by the parasite Toxoplasma gondii (tg) can lead to toxoplasmosis in immunocompromised patients such as organ transplant, cancer and HIV/AIDS patients. The bifunctional thymidylate synthase-dihydrofolate reductase (TS-DHFR) enzyme is crucial for nucleotide synthesis in T. gondii, and represents a potential target to combat T. gondii infection. While species selectivity with drugs has been attained for DHFR, TS is much more conserved across species and specificity is significantly more challenging. We discovered novel substituted-9H-pyrimido[4,5-b]indoles 1-3 with single-digit nanomolar Ki for tgTS, two of which, 2 and 3, are 28- and 122-fold selective over human TS (hTS). The synthesis of these compounds, and their structures in complex with tgTS-DHFR are presented along with binding measurements and cell culture data. These results show, for the very first time, that in spite of the high degree of conservation of active site residues between hTS and the parasite TS, specificity has been accomplished via novel structures and provides a new target (TS) for selective drug development against parasitic infections.

-	~~The entry 4ky4 is ON HOLD until Paper Publication~~	+	Discovery of potent and selective inhibitors of thymidylate synthase for opportunistic infections.,Zaware N, Sharma H, Yang J, Devambatla RK, Queener SF, Anderson KS, Gangjee A ACS Med Chem Lett. 2013 Oct 4;4(12):1148-1151. PMID:24470841<ref>PMID:24470841</ref>

-	~~Authors: Sharma~~, H., Anderson, K.S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Anderson, K S.]]
		+	[[Category: Sharma, H.]]
		+	[[Category: Bifunctional]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Synthase]]
		+	[[Category: Transferase]]

OCA at 06:39, 28 August 2013

2013-08-28T06:39:50Z

←Older revision		Revision as of 06:39, 28 August 2013
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4ky4 is ON HOLD	+	The entry 4ky4 is ON HOLD until Paper Publication

	Authors: Sharma, H., Anderson, K.S.		Authors: Sharma, H., Anderson, K.S.

	Description: Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR		Description: Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR

OCA: Protected "4ky4" [edit=sysop:move=sysop]

2013-06-19T12:13:18Z

Protected "4ky4" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:13, 19 June 2013

OCA: New page: '''Unreleased structure''' The entry 4ky4 is ON HOLD Authors: Sharma, H., Anderson, K.S. Description: Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondi...

2013-06-19T12:13:16Z

New page: '''Unreleased structure''' The entry 4ky4 is ON HOLD Authors: Sharma, H., Anderson, K.S. Description: Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondi...

New page

'''Unreleased structure'''

The entry 4ky4 is ON HOLD

Authors: Sharma, H., Anderson, K.S.

Description: Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii TS-DHFR