2yof - Revision history

OCA at 10:57, 20 December 2023

2023-12-20T10:57:02Z

←Older revision		Revision as of 10:57, 20 December 2023
Line 3:		Line 3:
	<StructureSection load='2yof' size='340' side='right'caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>		<StructureSection load='2yof' size='340' side='right'caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Plaf7 Plaf7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YOF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_3D7 Plasmodium falciparum 3D7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YOF FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</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]] 1.82Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>	+
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [https://pdbe.org/2yof PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [https://www.ebi.ac.uk/pdbsum/2yof PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof 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=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [https://pdbe.org/2yof PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [https://www.ebi.ac.uk/pdbsum/2yof PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/KTHY_PLAF7 KTHY_PLAF7] Catalyzes the phosphorylation of thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), the immediate precursor for the DNA building block dTTP (PubMed:18477629, PubMed:19126267, PubMed:31934749, PubMed:20353400). Can also phosphorylate dGMP and to a lesser extent GMP, dUMP and dIMP (PubMed:18477629, PubMed:19126267, PubMed:31934749, PubMed:20353400). Can use either ATP or dATP as phosphate donors in presence of Mg(2+) (PubMed:18477629).<ref>PMID:18477629</ref> <ref>PMID:19126267</ref> <ref>PMID:20353400</ref> <ref>PMID:31934749</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plaf7]]~~	+	[[Category: Plasmodium falciparum 3D7]]
-	~~[[Category: DTMP kinase~~]]	+	[[Category: Brannigan JA]]
-	[[Category: Brannigan~~, J A~~]]	+	[[Category: Carrero-Lerida J]]
-	[[Category: Carrero-Lerida, J]]	+	[[Category: Gilbert IH]]
-	[[Category: Gilbert~~, I H~~]]	+	[[Category: Gonzalez-Pacanowska D]]
-	[[Category: Gonzalez-Pacanowska, D]]	+	[[Category: Huaqing C]]
-	[[Category: Huaqing, C]]	+	[[Category: Read KD]]
-	[[Category: Read~~, K D~~]]	+	[[Category: Ruiz-Perez LM]]
-	[[Category: Ruiz-Perez~~, L M~~]]	+	[[Category: Silva APG]]
-	[[Category: Silva~~, A P.G~~]]	+	[[Category: Whittingham JL]]
-	[[Category: Whittingham~~, J L~~]]	+	[[Category: Wilson KS]]
-	[[Category: Wilson~~, K S]]~~	+
-	~~[[Category: Malaria]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 12:34, 27 April 2022

2022-04-27T12:34:09Z

←Older revision		Revision as of 12:34, 27 April 2022
Line 3:		Line 3:
	<StructureSection load='2yof' size='340' side='right'caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>		<StructureSection load='2yof' size='340' side='right'caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2YOF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YOF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [~~http~~://pdbe.org/2yof PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2yof PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof 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=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [https://pdbe.org/2yof PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [https://www.ebi.ac.uk/pdbsum/2yof PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 13:00, 22 July 2020

2020-07-22T13:00:22Z

←Older revision		Revision as of 13:00, 22 July 2020
Line 1:		Line 1:

	==Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor==		==Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor==
-	<StructureSection load='2yof' size='340' side='right' caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>	+	<StructureSection load='2yof' size='340' side='right'caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2YOF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2YOF FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [http://pdbe.org/2yof PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [http://www.ebi.ac.uk/pdbsum/2yof PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [http://pdbe.org/2yof PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [http://www.ebi.ac.uk/pdbsum/2yof PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 20:

	==See Also==		==See Also==
-	*[[Thymidylate kinase\|Thymidylate kinase]]	+	*[[Thymidylate kinase 3D structures\|Thymidylate kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Plaf7]]		[[Category: Plaf7]]
	[[Category: DTMP kinase]]		[[Category: DTMP kinase]]

OCA at 15:07, 4 August 2016

2016-08-04T15:07:11Z

←Older revision		Revision as of 15:07, 4 August 2016
Line 1:		Line 1:
		+
	==Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor==		==Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor==
	<StructureSection load='2yof' size='340' side='right' caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>		<StructureSection load='2yof' size='340' side='right' caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YOF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YOF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [http://www.ebi.ac.uk/pdbsum/2yof 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=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [http://pdbe.org/2yof PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [http://www.ebi.ac.uk/pdbsum/2yof PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yof ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	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 2yof" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Plasmodium falciparum 3d7~~]]	+	[[Category: Plaf7]]
	[[Category: DTMP kinase]]		[[Category: DTMP kinase]]
	[[Category: Brannigan, J A]]		[[Category: Brannigan, J A]]

OCA at 13:52, 18 December 2014

2014-12-18T13:52:08Z

←Older revision		Revision as of 13:52, 18 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_2yof\| PDB=2yof \| SCENE= }}~~	+	==Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor==
-	===Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor===	+	<StructureSection load='2yof' size='340' side='right' caption='[[2yof]], [[Resolution\|resolution]] 1.82Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23240776}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YOF FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=74W:1-[4-CHLORANYL-3-(TRIFLUOROMETHYL)PHENYL]-3-[[(2R,3S)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHYL]THIOUREA'>74W</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wwf\|2wwf]], [[2wwg\|2wwg]], [[2wwh\|2wwh]], [[2wwi\|2wwi]], [[2yog\|2yog]], [[2yoh\|2yoh]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dTMP_kinase dTMP kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.4.9 2.7.4.9] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2yof FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yof OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2yof RCSB], [http://www.ebi.ac.uk/pdbsum/2yof PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Plasmodium falciparum thymidylate kinase (PfTMPK) is a key enzyme in pyrimidine nucleotide biosynthesis. 3-Trifluoromethyl-4-chloro-phenyl-urea-alpha-thymidine has been reported as an inhibitor of Mycobacterium tuberculosis TMPK (MtTMPK). Starting from this point, we designed, synthesized and evaluated a number of thymidine analogues as antimalarials. Both 5'-urea-alpha- and beta-thymidine derivatives were moderate inhibitors of PfTMPK and furthermore showed moderate inhibition of parasite growth. The structure of several enzyme-inhibitor complexes provides a basis for improved inhibitor design. However, we found that certain 5'-urea-alpha-thymidine analogues had antimalarial activity where inhibition of PfTMPK is not the major mode of action. Optimization of this series resulted in a compound with potent antimalarial activity (EC(50) = 28 nM; CC(50) = 29 muM).

-	~~==About this Structure==~~	+	Synthesis and evaluation of alpha-thymidine analogues as novel antimalarials.,Cui H, Carrero-Lerida J, Silva AP, Whittingham JL, Brannigan JA, Ruiz-Perez LM, Read KD, Wilson KS, Gonzalez-Pacanowska D, Gilbert IH J Med Chem. 2012 Dec 27;55(24):10948-57. doi: 10.1021/jm301328h. Epub 2012 Dec, 14. PMID:23240776<ref>PMID:23240776</ref>
-	~~[[2yof]] is a 3 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]~~. ~~Full crystallographic information is available from [http~~:/~~/oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=2YOF OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:023240776</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Thymidylate kinase\|Thymidylate kinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]
	[[Category: DTMP kinase]]		[[Category: DTMP kinase]]
-	[[Category: Brannigan, J A.]]	+	[[Category: Brannigan, J A]]
-	[[Category: Carrero-Lerida, J.]]	+	[[Category: Carrero-Lerida, J]]
-	[[Category: Gilbert, I H.]]	+	[[Category: Gilbert, I H]]
-	[[Category: Gonzalez-Pacanowska, D.]]	+	[[Category: Gonzalez-Pacanowska, D]]
-	[[Category: Huaqing, C.]]	+	[[Category: Huaqing, C]]
-	[[Category: Read, K D.]]	+	[[Category: Read, K D]]
-	[[Category: Ruiz-Perez, L M.]]	+	[[Category: Ruiz-Perez, L M]]
-	[[Category: Silva, A P.G.]]	+	[[Category: Silva, A P.G]]
-	[[Category: Whittingham, J L.]]	+	[[Category: Whittingham, J L]]
-	[[Category: Wilson, K S.]]	+	[[Category: Wilson, K S]]
	[[Category: Malaria]]		[[Category: Malaria]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 12:52, 24 July 2013

2013-07-24T12:52:15Z

←Older revision		Revision as of 12:52, 24 July 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_2yof\| PDB=2yof \| SCENE= }}
		+	===Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor===
		+	{{ABSTRACT_PUBMED_23240776}}

-	~~The entry~~ 2yof is ~~ON HOLD until Paper Publication~~	+	==About this Structure==
		+	[[2yof]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YOF OCA].

-	~~Authors~~: ~~Huaqing~~, C., Carrero-Lerida, J., ~~Silva, A.P.G~~., ~~Whittingham, J.L~~., ~~Brannigan, J.A~~., Ruiz-Perez, L.M., ~~Read, K~~.D., Wilson, K.S.~~, Gonzalez-Pacanowska, D., Gilbert, I.H.~~	+	==Reference==
-		+	<ref group="xtra">PMID:023240776</ref><references group="xtra"/><references/>
-	~~Description~~: ~~Plasmodium falciparum thymidylate kinase in complex with a (thio)urea-beta-deoxythymidine inhibitor~~	+	[[Category: Plasmodium falciparum 3d7]]
		+	[[Category: DTMP kinase]]
		+	[[Category: Brannigan, J A.]]
		+	[[Category: Carrero-Lerida, J.]]
		+	[[Category: Gilbert, I H.]]
		+	[[Category: Gonzalez-Pacanowska, D.]]
		+	[[Category: Huaqing, C.]]
		+	[[Category: Read, K D.]]
		+	[[Category: Ruiz-Perez, L M.]]
		+	[[Category: Silva, A P.G.]]
		+	[[Category: Whittingham, J L.]]
		+	[[Category: Wilson, K S.]]
		+	[[Category: Malaria]]
		+	[[Category: Transferase]]

OCA at 08:49, 21 November 2012

2012-11-21T08:49:20Z

←Older revision		Revision as of 08:49, 21 November 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 2yof is ON HOLD	+	The entry 2yof is ON HOLD until Paper Publication

	Authors: Huaqing, C., Carrero-Lerida, J., Silva, A.P.G., Whittingham, J.L., Brannigan, J.A., Ruiz-Perez, L.M., Read, K.D., Wilson, K.S., Gonzalez-Pacanowska, D., Gilbert, I.H.		Authors: Huaqing, C., Carrero-Lerida, J., Silva, A.P.G., Whittingham, J.L., Brannigan, J.A., Ruiz-Perez, L.M., Read, K.D., Wilson, K.S., Gonzalez-Pacanowska, D., Gilbert, I.H.

	Description: Plasmodium falciparum thymidylate kinase in complex with a (thio)urea-beta-deoxythymidine inhibitor		Description: Plasmodium falciparum thymidylate kinase in complex with a (thio)urea-beta-deoxythymidine inhibitor

OCA: Protected "2yof" [edit=sysop:move=sysop]

2012-10-31T08:22:52Z

Protected "2yof" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:22, 31 October 2012

OCA: New page: '''Unreleased structure''' The entry 2yof is ON HOLD Authors: Huaqing, C., Carrero-Lerida, J., Silva, A.P.G., Whittingham, J.L., Brannigan, J.A., Ruiz-Perez, L.M., Read, K.D., Wilson, K...

2012-10-31T08:22:51Z

New page: '''Unreleased structure''' The entry 2yof is ON HOLD Authors: Huaqing, C., Carrero-Lerida, J., Silva, A.P.G., Whittingham, J.L., Brannigan, J.A., Ruiz-Perez, L.M., Read, K.D., Wilson, K...

New page

'''Unreleased structure'''

The entry 2yof is ON HOLD

Authors: Huaqing, C., Carrero-Lerida, J., Silva, A.P.G., Whittingham, J.L., Brannigan, J.A., Ruiz-Perez, L.M., Read, K.D., Wilson, K.S., Gonzalez-Pacanowska, D., Gilbert, I.H.

Description: Plasmodium falciparum thymidylate kinase in complex with a (thio)urea-beta-deoxythymidine inhibitor