2wpc - Revision history

OCA at 10:13, 20 December 2023

2023-12-20T10:13:08Z

← Older revision		Revision as of 10:13, 20 December 2023
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	<StructureSection load='2wpc' size='340' side='right'caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='2wpc' size='340' side='right'caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Tryb2 Tryb2~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPC FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_TREU927 Trypanosoma brucei brucei TREU927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</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]] 2.1Å</td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</div></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [https://pdbe.org/2wpc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [https://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc 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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [https://pdbe.org/2wpc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [https://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/Q389T8_TRYB2 Q389T8_TRYB2]
	<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: ~~Tryb2]]~~		[[Category: Trypanosoma brucei brucei TREU927]]
	~~[[Category: Trypanothione-disulfide reductase~~]]		[[Category: Alphey MS]]
	[[Category: Alphey~~, M S~~]]		[[Category: Fairlamb AH]]
	[[Category: Fairlamb~~, A H~~]]		[[Category: Patterson S]]
	[[Category: Patterson, S]]
	~~[[Category: Flavoprotein]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Redox-active center]]~~
	~~[[Category: Sleeping sickness]]~~
	~~[[Category: Trypanosomiasis~~]]

OCA at 11:12, 6 April 2022

2022-04-06T11:12:58Z

← Older revision		Revision as of 11:12, 6 April 2022
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	<StructureSection load='2wpc' size='340' side='right'caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='2wpc' size='340' side='right'caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Tryb2 Tryb2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2WPC FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Tryb2 Tryb2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</div></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [~~http~~://pdbe.org/2wpc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc 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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [https://pdbe.org/2wpc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [https://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 09:01, 1 July 2020

2020-07-01T09:01:24Z

← Older revision		Revision as of 09:01, 1 July 2020
Line 1:		Line 1:

	==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)==		==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)==
	<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='2wpc' size='340' side='right'caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Tryb2 Tryb2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2WPC FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Tryb2 Tryb2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [http://pdbe.org/2wpc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [http://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc 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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [http://pdbe.org/2wpc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [http://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Tryb2]]		[[Category: Tryb2]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]

OCA at 09:21, 26 September 2018

2018-09-26T09:21:18Z

← Older revision		Revision as of 09:21, 26 September 2018
Line 1:		Line 1:

	==~~TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH~~ 3,4-~~DIHYDROQUINAZOLINE INHIBITOR~~ (DDD00073357)==		==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)==
	<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_brucei_treu927 Trypanosoma brucei treu927~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPC FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Tryb2 Tryb2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Trypanosoma brucei treu927~~]]		[[Category: Tryb2]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S]]		[[Category: Alphey, M S]]

OCA at 03:10, 5 August 2016

2016-08-05T03:10:36Z

← Older revision		Revision as of 03:10, 5 August 2016
Line 1:		Line 1:

	==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)==		==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)==
	<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_brucei~~ Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPC FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_treu927 Trypanosoma brucei treu927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [http://www.ebi.ac.uk/pdbsum/2wpc 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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [http://pdbe.org/2wpc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [http://www.ebi.ac.uk/pdbsum/2wpc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpc 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 2wpc" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Trypanosoma brucei]]		[[Category: Trypanosoma brucei treu927]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S]]		[[Category: Alphey, M S]]

OCA at 13:43, 17 December 2014

2014-12-17T13:43:49Z

← Older revision		Revision as of 13:43, 17 December 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2wpc\| PDB=2wpc \| SCENE= }}~~		==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)==
	===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)===		<StructureSection load='2wpc' size='340' side='right' caption='[[2wpc]], [[Resolution\|resolution]] 2.10Å' scene=''>
	{~~{ABSTRACT_PUBMED_21851087}~~}		== Structural highlights ==
			<table><tr><td colspan='2'>[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPC FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=WP7:(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE'>WP7</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2woi\|2woi]], [[2wp5\|2wp5]], [[2wow\|2wow]], [[2wpe\|2wpe]], [[2wpf\|2wpf]]</td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpc RCSB], [http://www.ebi.ac.uk/pdbsum/2wpc PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Trypanothione reductase (TryR) is a genetically validated drug target in the parasite Trypanosoma brucei , the causative agent of human African trypanosomiasis. Here we report the discovery, synthesis, and development of a novel series of TryR inhibitors based on a 3,4-dihydroquinazoline scaffold. In addition, a high resolution crystal structure of TryR, alone and in complex with substrates and inhibitors from this series, is presented. This represents the first report of a high resolution complex between a noncovalent ligand and this enzyme. Structural studies revealed that upon ligand binding the enzyme undergoes a conformational change to create a new subpocket which is occupied by an aryl group on the ligand. Therefore, the inhibitor, in effect, creates its own small binding pocket within the otherwise large, solvent exposed active site. The TryR-ligand structure was subsequently used to guide the synthesis of inhibitors, including analogues that challenged the induced subpocket. This resulted in the development of inhibitors with improved potency against both TryR and T. brucei parasites in a whole cell assay.

	~~==About this Structure==~~		Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein Crystallography.,Patterson S, Alphey MS, Jones DC, Shanks EJ, Street IP, Frearson JA, Wyatt PG, Gilbert IH, Fairlamb AH J Med Chem. 2011 Oct 13;54(19):6514-30. Epub 2011 Sep 1. PMID:21851087<ref>PMID:21851087</ref>
	~~[[2wpc]] is~~ a ~~4 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org/wiki/Trypanosoma_brucei Trypanosoma brucei]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=2WPC OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Trypanothione reductase\|Trypanothione reductase]]		*[[Trypanothione reductase\|Trypanothione reductase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:021851087<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Trypanosoma brucei]]		[[Category: Trypanosoma brucei]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S.]]		[[Category: Alphey, M S]]
	[[Category: Fairlamb, A H.]]		[[Category: Fairlamb, A H]]
	[[Category: Patterson, S.]]		[[Category: Patterson, S]]
	[[Category: Flavoprotein]]		[[Category: Flavoprotein]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 09:22, 11 March 2013

2013-03-11T09:22:12Z

@@ Line 1: / Line 1: @@
 {{STRUCTURE_2wpc|  PDB=2wpc  |  SCENE=  }}
 ===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)===
 {{ABSTRACT_PUBMED_21851087}}
 ==About this Structure==
 [[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA].
 ==Reference==

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

2011-10-30T07:05:17Z

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

← Older revision	Revision as of 07:05, 30 October 2011
(No difference)

OCA at 07:05, 30 October 2011

2011-10-30T07:05:15Z

← Older revision		Revision as of 07:05, 30 October 2011
Line 1:		Line 1:
	~~{{Seed}}~~		[[Image:2wpc.png\|left\|200px]]
	[[Image:2wpc.~~jpg~~\|left\|200px]]

	<!--		<!--
Line 12:		Line 11:
	===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)===		===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)===


			<!--
			The line below this paragraph, {{ABSTRACT_PUBMED_21851087}}, adds the Publication Abstract to the page
			(as it appears on PubMed at http://www.pubmed.gov), where 21851087 is the PubMed ID number.
			-->
			{{ABSTRACT_PUBMED_21851087}}

	==About this Structure==		==About this Structure==
	~~2WPC~~ is a 4 ~~chains~~ structure with ~~sequences~~ from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA].		[[2wpc]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPC OCA].

			==Reference==
			<ref group="xtra">PMID:021851087</ref><references group="xtra"/>
	[[Category: Trypanosoma brucei]]		[[Category: Trypanosoma brucei]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
Line 25:		Line 33:
	[[Category: Sleeping sickness]]		[[Category: Sleeping sickness]]
	[[Category: Trypanosomiasis]]		[[Category: Trypanosomiasis]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 13 10:44:49 2010''~~

OCA at 07:35, 13 October 2010

2010-10-13T07:35:01Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+{{Seed}}
-The entry 2wpc is ON HOLD  until Paper Publication
+<!--
-Authors: Alphey, M.S., Patterson, S., Fairlamb, A.H.
+===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00073357)===
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 12 12:20:01 2009''
+==About this Structure==