3t64 - Revision history

OCA at 13:18, 14 March 2024

OCA — Thu, 14 Mar 2024 13:18:32 GMT

←Older revision		Revision as of 13:18, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3t64' size='340' side='right'caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='3t64' size='340' side='right'caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/~~Plaf7 Plaf7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T64 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3T64 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3T64 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=DU3:2~~,~~5-DIDEOXY-5-~~[~~(DIPHENYLMETHYL)AMINO~~]~~URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.65Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>PF11_0282 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~36329 PLAF7])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23]~~ </~~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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [https://pdbe.org/3t64 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [https://www.ebi.ac.uk/pdbsum/3t64 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t64 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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [https://pdbe.org/3t64 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [https://www.ebi.ac.uk/pdbsum/3t64 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t64 ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/Q8II92_PLAF7 Q8II92_PLAF7]
-	Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) is a potential drug target for malaria. We previously reported some 5'-tritylated deoxyuridine analogues (both cyclic and acyclic) as selective inhibitors of the Plasmodium falciparum dUTPase. Modelling studies indicated that it might be possible to replace the trityl group with a diphenyl moiety, as two of the phenyl groups are buried, whereas the third is exposed to solvent. Herein we report the synthesis and evaluation of some diphenyl analogues that have lower lipophilicity and molecular weight than the trityl lead compound. Co-crystal structures show that the diphenyl inhibitors bind in a similar manner to the corresponding trityl derivatives, with the two phenyl moieties occupying the predicted buried phenyl binding sites. The diphenyl compounds prepared show similar or slightly lower inhibition of PfdUTPase, and similar or weaker inhibition of parasite growth than the trityl compounds.	+
-		+
-	Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.,Hampton SE, Baragana B, Schipani A, Bosch-Navarrete C, Musso-Buendia JA, Recio E, Kaiser M, Whittingham JL, Roberts SM, Shevtsov M, Brannigan JA, Kahnberg P, Brun R, Wilson KS, Gonzalez-Pacanowska D, Johansson NG, Gilbert IH ChemMedChem. 2011 Oct 4;6(10):~~1816-31. PMID:22049550<ref>PMID:22049550<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®~~/~~PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3t64" style="background-color:#fffaf0;"><~~/~~div>~~	+

	==See Also==		==See Also==
	*[[DUTPase 3D structures\|DUTPase 3D structures]]		*[[DUTPase 3D structures\|DUTPase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plaf7]]~~	+	[[Category: Plasmodium falciparum 3D7]]
-	~~[[Category: DUTP diphosphatase~~]]	+	[[Category: Baragana B]]
-	[[Category: Baragana, B]]	+	[[Category: Bosch-Navarrete C]]
-	[[Category: Bosch-Navarrete, C]]	+	[[Category: Brannigan JA]]
-	[[Category: Brannigan~~, J A~~]]	+	[[Category: Brun R]]
-	[[Category: Brun, R]]	+	[[Category: Gilbert IH]]
-	[[Category: Gilbert~~, I H~~]]	+	[[Category: Gonzalez-Pacanowska D]]
-	[[Category: Gonzalez-Pacanowska, D]]	+	[[Category: Hampton SE]]
-	[[Category: Hampton~~, S E~~]]	+	[[Category: Johansson NG]]
-	[[Category: Johansson~~, N G~~]]	+	[[Category: Kahnberg P]]
-	[[Category: Kahnberg, P]]	+	[[Category: Kaiser M]]
-	[[Category: Kaiser, M]]	+	[[Category: Musso-Buendia A]]
-	[[Category: Musso-Buendia, A]]	+	[[Category: Recio E]]
-	[[Category: Recio, E]]	+	[[Category: Roberts SM]]
-	[[Category: Roberts~~, S M~~]]	+	[[Category: Schipani A]]
-	[[Category: Schipani, A]]	+	[[Category: Shevtsov M]]
-	[[Category: Shevtsov, M]]	+	[[Category: Whittingham JL]]
-	[[Category: Whittingham~~, J L~~]]	+	[[Category: Wilson KS]]
-	[[Category: Wilson~~, K S]]~~	+
-	~~[[Category: Dutp binding]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Nucleus~~]]	+

OCA at 16:44, 6 July 2022

OCA — Wed, 06 Jul 2022 16:44:43 GMT

←Older revision		Revision as of 16:44, 6 July 2022
Line 1:		Line 1:

	==5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase==		==5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase==
-	<StructureSection load='3t64' size='340' side='right' caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>	+	<StructureSection load='3t64' size='340' side='right'caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [~~http~~://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T64 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3T64 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T64 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3T64 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [~~http~~://pdbe.org/3t64 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3t64 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3t64 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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [https://pdbe.org/3t64 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [https://www.ebi.ac.uk/pdbsum/3t64 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t64 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 3t64" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3t64" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[DUTPase 3D structures\|DUTPase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 23:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
		+	[[Category: Large Structures]]
	[[Category: Plaf7]]		[[Category: Plaf7]]
	[[Category: DUTP diphosphatase]]		[[Category: DUTP diphosphatase]]

OCA at 19:37, 24 January 2018

OCA — Wed, 24 Jan 2018 19:37:26 GMT

←Older revision		Revision as of 19:37, 24 January 2018
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 3t64" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3t64" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Deoxyuridine 5'-triphosphate nucleotidohydrolase\|Deoxyuridine 5'-triphosphate nucleotidohydrolase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 20:26, 11 August 2016

OCA — Thu, 11 Aug 2016 20:26:56 GMT

←Older revision		Revision as of 20:26, 11 August 2016
Line 1:		Line 1:
		+
	==5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase==		==5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase==
	<StructureSection load='3t64' size='340' side='right' caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='3t64' size='340' side='right' caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T64 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T64 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T64 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 ~~Plasmodium falciparum 3D7~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [http://www.ebi.ac.uk/pdbsum/3t64 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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [http://pdbe.org/3t64 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [http://www.ebi.ac.uk/pdbsum/3t64 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3t64 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 3t64" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 24:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
-	[[Category: ~~Plasmodium falciparum 3d7~~]]	+	[[Category: Plaf7]]
	[[Category: DUTP diphosphatase]]		[[Category: DUTP diphosphatase]]
	[[Category: Baragana, B]]		[[Category: Baragana, B]]

OCA at 10:10, 4 January 2015

OCA — Sun, 04 Jan 2015 10:10:28 GMT

←Older revision		Revision as of 10:10, 4 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T64 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T64 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 Plasmodium falciparum 3D7])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 Plasmodium falciparum 3D7])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </span></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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [http://www.ebi.ac.uk/pdbsum/3t64 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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [http://www.ebi.ac.uk/pdbsum/3t64 PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 26:
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]
	[[Category: DUTP diphosphatase]]		[[Category: DUTP diphosphatase]]
-	[[Category: Baragana, B.]]	+	[[Category: Baragana, B]]
-	[[Category: Bosch-Navarrete, C.]]	+	[[Category: Bosch-Navarrete, C]]
-	[[Category: Brannigan, J A.]]	+	[[Category: Brannigan, J A]]
-	[[Category: Brun, R.]]	+	[[Category: Brun, R]]
-	[[Category: Gilbert, I H.]]	+	[[Category: Gilbert, I H]]
-	[[Category: Gonzalez-Pacanowska, D.]]	+	[[Category: Gonzalez-Pacanowska, D]]
	[[Category: Hampton, S E]]		[[Category: Hampton, S E]]
-	[[Category: Johansson, N G.]]	+	[[Category: Johansson, N G]]
-	[[Category: Kahnberg, P.]]	+	[[Category: Kahnberg, P]]
-	[[Category: Kaiser, M.]]	+	[[Category: Kaiser, M]]
-	[[Category: Musso-Buendia, A.]]	+	[[Category: Musso-Buendia, A]]
-	[[Category: Recio, E.]]	+	[[Category: Recio, E]]
-	[[Category: Roberts, S M.]]	+	[[Category: Roberts, S M]]
-	[[Category: Schipani, A.]]	+	[[Category: Schipani, A]]
-	[[Category: Shevtsov, M.]]	+	[[Category: Shevtsov, M]]
-	[[Category: Whittingham, J L.]]	+	[[Category: Whittingham, J L]]
-	[[Category: Wilson, K S.]]	+	[[Category: Wilson, K S]]
	[[Category: Dutp binding]]		[[Category: Dutp binding]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Nucleus]]		[[Category: Nucleus]]

OCA at 09:26, 11 June 2014

OCA — Wed, 11 Jun 2014 09:26:45 GMT

←Older revision		Revision as of 09:26, 11 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3t64.~~jpg~~\|~~left~~\|~~200px~~]]	+	==5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase==
		+	<StructureSection load='3t64' size='340' side='right' caption='[[3t64]], [[Resolution\|resolution]] 1.65Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T64 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DU3:2,5-DIDEOXY-5-[(DIPHENYLMETHYL)AMINO]URIDINE'>DU3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PF11_0282 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 Plasmodium falciparum 3D7])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] </span></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=3t64 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t64 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t64 RCSB], [http://www.ebi.ac.uk/pdbsum/3t64 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) is a potential drug target for malaria. We previously reported some 5'-tritylated deoxyuridine analogues (both cyclic and acyclic) as selective inhibitors of the Plasmodium falciparum dUTPase. Modelling studies indicated that it might be possible to replace the trityl group with a diphenyl moiety, as two of the phenyl groups are buried, whereas the third is exposed to solvent. Herein we report the synthesis and evaluation of some diphenyl analogues that have lower lipophilicity and molecular weight than the trityl lead compound. Co-crystal structures show that the diphenyl inhibitors bind in a similar manner to the corresponding trityl derivatives, with the two phenyl moieties occupying the predicted buried phenyl binding sites. The diphenyl compounds prepared show similar or slightly lower inhibition of PfdUTPase, and similar or weaker inhibition of parasite growth than the trityl compounds.

-	~~{{STRUCTURE_3t64\| PDB=3t64 \| SCENE= }}~~	+	Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.,Hampton SE, Baragana B, Schipani A, Bosch-Navarrete C, Musso-Buendia JA, Recio E, Kaiser M, Whittingham JL, Roberts SM, Shevtsov M, Brannigan JA, Kahnberg P, Brun R, Wilson KS, Gonzalez-Pacanowska D, Johansson NG, Gilbert IH ChemMedChem. 2011 Oct 4;6(10):1816-31. PMID:22049550<ref>PMID:22049550</ref>

-	~~===5'-Diphenyl Nucleoside Inhibitors~~ of ~~Plasmodium falciparum dUTPase===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_22049550}}~~	+	==See Also==
-		+	*[[Deoxyuridine 5'-triphosphate nucleotidohydrolase\|Deoxyuridine 5'-triphosphate nucleotidohydrolase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3t64~~]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA].	+	<references/>
-		+	__TOC__
-	==~~Reference~~==	+	</StructureSection>
-	<~~ref group="xtra">PMID:022049550<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]

OCA at 05:13, 29 August 2012

OCA — Wed, 29 Aug 2012 05:13:56 GMT

←Older revision		Revision as of 05:13, 29 August 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3t64.jpg\|left\|200px]]

-	~~The entry~~ 3t64 ~~is ON HOLD~~	+	{{STRUCTURE_3t64\| PDB=3t64 \| SCENE= }}

-	~~Authors: Hampton, S.E, Baragana, B., Schipani, A., Bosch~~-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.	+	===5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase===

-	~~Description~~: 5'-~~Diphenyl Nucleoside Inhibitors of~~ Plasmodium falciparum ~~dUTPase~~	+	{{ABSTRACT_PUBMED_22049550}}
		+
		+	==About this Structure==
		+	[[3t64]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [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=3T64 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022049550</ref><references group="xtra"/>
		+	[[Category: Escherichia coli]]
		+	[[Category: Plasmodium falciparum 3d7]]
		+	[[Category: DUTP diphosphatase]]
		+	[[Category: Baragana, B.]]
		+	[[Category: Bosch-Navarrete, C.]]
		+	[[Category: Brannigan, J A.]]
		+	[[Category: Brun, R.]]
		+	[[Category: Gilbert, I H.]]
		+	[[Category: Gonzalez-Pacanowska, D.]]
		+	[[Category: Hampton, S E]]
		+	[[Category: Johansson, N G.]]
		+	[[Category: Kahnberg, P.]]
		+	[[Category: Kaiser, M.]]
		+	[[Category: Musso-Buendia, A.]]
		+	[[Category: Recio, E.]]
		+	[[Category: Roberts, S M.]]
		+	[[Category: Schipani, A.]]
		+	[[Category: Shevtsov, M.]]
		+	[[Category: Whittingham, J L.]]
		+	[[Category: Wilson, K S.]]
		+	[[Category: Dutp binding]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Nucleus]]

OCA at 04:40, 8 August 2012

OCA — Wed, 08 Aug 2012 04:40:11 GMT

←Older revision		Revision as of 04:40, 8 August 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3t64 is ON HOLD ~~until sometime in the future~~	+	The entry 3t64 is ON HOLD

	Authors: Hampton, S.E, Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.		Authors: Hampton, S.E, Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.

	Description: 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase		Description: 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase

OCA at 06:21, 31 August 2011

OCA — Wed, 31 Aug 2011 06:21:08 GMT

←Older revision		Revision as of 06:21, 31 August 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3t64 is ON HOLD	+	The entry 3t64 is ON HOLD until sometime in the future

	Authors: Hampton, S.E, Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.		Authors: Hampton, S.E, Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.

	Description: 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase		Description: 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase

OCA: Protected "3t64" [edit=sysop:move=sysop]

OCA — Wed, 03 Aug 2011 08:28:34 GMT

Protected "3t64" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:28, 3 August 2011