4bku - Revision history

OCA at 11:53, 20 December 2023

OCA — Wed, 20 Dec 2023 11:53:28 GMT

←Older revision		Revision as of 11:53, 20 December 2023
Line 3:		Line 3:
	<StructureSection load='4bku' size='340' side='right'caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right'caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BKU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=1S5:5~~-~~(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>~~, ~~<scene name='pdbligand=NAI:~~1~~,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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]] 1.841Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style='overflow: auto; max-height: 3em;'>[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
-	~~<tr~~ id~~='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Enoyl~~-~~[acyl~~-~~carrier~~-~~protein]_reductase_(NADH~~) ~~Enoyl~~-~~[acyl~~-~~carrier~~-~~protein] reductase (NADH)], with EC number [https://www.brenda~~-~~enzymes.info/php~~/~~result_flat.php4?ecno~~=1~~.3.1.9 1.3.1.9]~~ </~~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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [https://pdbe.org/4bku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [https://www.ebi.ac.uk/pdbsum/4bku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bku 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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [https://pdbe.org/4bku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [https://www.ebi.ac.uk/pdbsum/4bku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bku ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H3HP34_BURP2 A0A0H3HP34_BURP2]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Burkholderia pseudomallei 1026b]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hirschbeck~~, M W~~]]	+	[[Category: Hirschbeck MW]]
-	[[Category: Kisker, C]]	+	[[Category: Kisker C]]
-	[[Category: Liu, N]]	+	[[Category: Liu N]]
-	[[Category: Neckles, C]]	+	[[Category: Neckles C]]
-	[[Category: Tonge~~, P J]]~~	+	[[Category: Tonge PJ]]
-	~~[[Category: Enoyl- acp reductase]]~~	+
-	~~[[Category: Fatty acid biosynthesis]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Pyridone~~]]	+

OCA at 07:17, 31 August 2022

OCA — Wed, 31 Aug 2022 07:17:00 GMT

←Older revision		Revision as of 07:17, 31 August 2022
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	<StructureSection load='4bku' size='340' side='right'caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right'caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BKU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [~~http~~://pdbe.org/4bku PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bku PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bku 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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [https://pdbe.org/4bku PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [https://www.ebi.ac.uk/pdbsum/4bku PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bku ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 18:10, 14 August 2019

OCA — Wed, 14 Aug 2019 18:10:14 GMT

←Older revision		Revision as of 18:10, 14 August 2019
Line 1:		Line 1:

	==Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155==		==Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155==
-	<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>	+	<StructureSection load='4bku' size='340' side='right'caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4bku" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4bku" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures\|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Hirschbeck, M W]]		[[Category: Hirschbeck, M W]]
	[[Category: Kisker, C]]		[[Category: Kisker, C]]

OCA at 12:30, 6 November 2017

OCA — Mon, 06 Nov 2017 12:30:36 GMT

←Older revision		Revision as of 12:30, 6 November 2017
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4bku" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4bku" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:35, 3 August 2017

OCA — Thu, 03 Aug 2017 09:35:43 GMT

←Older revision		Revision as of 09:35, 3 August 2017
Line 3:		Line 3:
	<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure ~~with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Burkholderia pseudomallei 1026b]]
	[[Category: Hirschbeck, M W]]		[[Category: Hirschbeck, M W]]
	[[Category: Kisker, C]]		[[Category: Kisker, C]]

OCA at 02:45, 11 December 2016

OCA — Sun, 11 Dec 2016 02:45:51 GMT

←Older revision		Revision as of 02:45, 11 December 2016
Line 1:		Line 1:
		+
	==Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155==		==Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155==
	<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku 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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://pdbe.org/4bku PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bku 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 4bku" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:37, 10 December 2014

OCA — Wed, 10 Dec 2014 12:37:55 GMT

←Older revision		Revision as of 12:37, 10 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku 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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku 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 21:		Line 21:
	</StructureSection>		</StructureSection>
	[[Category: Burkholderia pseudomallei 1026b]]		[[Category: Burkholderia pseudomallei 1026b]]
-	[[Category: Hirschbeck, M W.]]	+	[[Category: Hirschbeck, M W]]
-	[[Category: Kisker, C.]]	+	[[Category: Kisker, C]]
-	[[Category: Liu, N.]]	+	[[Category: Liu, N]]
-	[[Category: Neckles, C.]]	+	[[Category: Neckles, C]]
-	[[Category: Tonge, P J.]]	+	[[Category: Tonge, P J]]
	[[Category: Enoyl- acp reductase]]		[[Category: Enoyl- acp reductase]]
	[[Category: Fatty acid biosynthesis]]		[[Category: Fatty acid biosynthesis]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Pyridone]]		[[Category: Pyridone]]

OCA at 06:51, 13 August 2014

OCA — Wed, 13 Aug 2014 06:51:07 GMT

←Older revision		Revision as of 06:51, 13 August 2014
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	<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. <br>	+	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BKU FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>		<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/~~Glucokinase Glucokinase~~], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.~~2 2~~.7.1.2] </span></td></tr>	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum]</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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum]</span></td></tr>
	<table>		<table>
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	Rational Design of Broad-Spectrum Antibacterial Activity based on a Clinically Relevant Enoyl-ACP Reductase Inhibitor.,Schiebel J, Chang A, Shah S, Lu Y, Liu L, Pan P, Hirschbeck MW, Tareilus M, Eltschkner S, Yu W, Cummings JE, Knudson SE, Bommineni GR, Walker SG, Slayden RA, Sotriffer CA, Tonge PJ, Kisker C J Biol Chem. 2014 Apr 16. PMID:24739388<ref>PMID:24739388</ref>		Rational Design of Broad-Spectrum Antibacterial Activity based on a Clinically Relevant Enoyl-ACP Reductase Inhibitor.,Schiebel J, Chang A, Shah S, Lu Y, Liu L, Pan P, Hirschbeck MW, Tareilus M, Eltschkner S, Yu W, Cummings JE, Knudson SE, Bommineni GR, Walker SG, Slayden RA, Sotriffer CA, Tonge PJ, Kisker C J Biol Chem. 2014 Apr 16. PMID:24739388<ref>PMID:24739388</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
	== References ==		== References ==

OCA at 09:37, 1 May 2014

OCA — Thu, 01 May 2014 09:37:52 GMT

←Older revision		Revision as of 09:37, 1 May 2014
Line 2:		Line 2:
	<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='4bku' size='340' side='right' caption='[[4bku]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. <br>	+	<table><tr><td colspan='2'>[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. <br>
-	<b>[[Ligand\|Ligands:]]</b> <scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>
-	<b>[[Related_structure\|Related:]]</b> [[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]<br>	+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]</td></tr>
-	<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
-	<b>Resources:</b> <span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum]</span><br>	+	<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=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
	Determining the molecular basis for target selectivity is of particular importance in drug discovery. The ideal antibiotic should be active against a broad spectrum of pathogenic organisms with a minimal effect on human targets. CG400549 - a Staphylococcus-specific 2-pyridone compound that inhibits the enoyl-ACP reductase (FabI) - has recently been shown to possess human efficacy for the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections (www.crystalgenomics.com), which constitute a serious threat to human health. In this study, we solved the structures of three different FabI homologues in complex with several pyridone inhibitors including CG400549. Based on these structures we rationalize the 65-fold reduced affinity of CG400549 towards Escherichia coli vs. S. aureus FabI and implement concepts to improve the spectrum of antibacterial activity. The identification of different conformational states along the reaction coordinate of the enzymatic hydride transfer provides an elegant visual depiction of the relationship between catalysis and inhibition, which facilitates rational inhibitor design. Ultimately, we developed the novel 4-pyridone-based FabI inhibitor PT166 that retained favorable pharmacokinetics and efficacy in a mouse model of S. aureus infection with extended activity against Gram-negative and mycobacterial organisms.		Determining the molecular basis for target selectivity is of particular importance in drug discovery. The ideal antibiotic should be active against a broad spectrum of pathogenic organisms with a minimal effect on human targets. CG400549 - a Staphylococcus-specific 2-pyridone compound that inhibits the enoyl-ACP reductase (FabI) - has recently been shown to possess human efficacy for the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections (www.crystalgenomics.com), which constitute a serious threat to human health. In this study, we solved the structures of three different FabI homologues in complex with several pyridone inhibitors including CG400549. Based on these structures we rationalize the 65-fold reduced affinity of CG400549 towards Escherichia coli vs. S. aureus FabI and implement concepts to improve the spectrum of antibacterial activity. The identification of different conformational states along the reaction coordinate of the enzymatic hydride transfer provides an elegant visual depiction of the relationship between catalysis and inhibition, which facilitates rational inhibitor design. Ultimately, we developed the novel 4-pyridone-based FabI inhibitor PT166 that retained favorable pharmacokinetics and efficacy in a mouse model of S. aureus infection with extended activity against Gram-negative and mycobacterial organisms.
Line 13:		Line 15:

	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>		From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:11, 30 April 2014

OCA — Wed, 30 Apr 2014 10:11:55 GMT

←Older revision		Revision as of 10:11, 30 April 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. <br>		[[4bku]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Burkholderia_pseudomallei_1026b Burkholderia pseudomallei 1026b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BKU OCA]. <br>
-	<b>Related:</b> [[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]<br>	+	<b>[[Ligand\|Ligands:]]</b> <scene name='pdbligand=1S5:5-(4-AMINO-2-METHYLPHENOXY)-2-HEXYL-4-HYDROXY-1-METHYLPYRIDINIUM'>1S5</scene>, <scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene><br>
		+	<b>[[Related_structure\|Related:]]</b> [[4bko\|4bko]], [[4bkq\|4bkq]], [[4bkr\|4bkr]]<br>
	<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>		<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
		+	<b>Resources:</b> <span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4bku FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bku OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bku RCSB], [http://www.ebi.ac.uk/pdbsum/4bku PDBsum]</span><br>
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
	Determining the molecular basis for target selectivity is of particular importance in drug discovery. The ideal antibiotic should be active against a broad spectrum of pathogenic organisms with a minimal effect on human targets. CG400549 - a Staphylococcus-specific 2-pyridone compound that inhibits the enoyl-ACP reductase (FabI) - has recently been shown to possess human efficacy for the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections (www.crystalgenomics.com), which constitute a serious threat to human health. In this study, we solved the structures of three different FabI homologues in complex with several pyridone inhibitors including CG400549. Based on these structures we rationalize the 65-fold reduced affinity of CG400549 towards Escherichia coli vs. S. aureus FabI and implement concepts to improve the spectrum of antibacterial activity. The identification of different conformational states along the reaction coordinate of the enzymatic hydride transfer provides an elegant visual depiction of the relationship between catalysis and inhibition, which facilitates rational inhibitor design. Ultimately, we developed the novel 4-pyridone-based FabI inhibitor PT166 that retained favorable pharmacokinetics and efficacy in a mouse model of S. aureus infection with extended activity against Gram-negative and mycobacterial organisms.		Determining the molecular basis for target selectivity is of particular importance in drug discovery. The ideal antibiotic should be active against a broad spectrum of pathogenic organisms with a minimal effect on human targets. CG400549 - a Staphylococcus-specific 2-pyridone compound that inhibits the enoyl-ACP reductase (FabI) - has recently been shown to possess human efficacy for the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections (www.crystalgenomics.com), which constitute a serious threat to human health. In this study, we solved the structures of three different FabI homologues in complex with several pyridone inhibitors including CG400549. Based on these structures we rationalize the 65-fold reduced affinity of CG400549 towards Escherichia coli vs. S. aureus FabI and implement concepts to improve the spectrum of antibacterial activity. The identification of different conformational states along the reaction coordinate of the enzymatic hydride transfer provides an elegant visual depiction of the relationship between catalysis and inhibition, which facilitates rational inhibitor design. Ultimately, we developed the novel 4-pyridone-based FabI inhibitor PT166 that retained favorable pharmacokinetics and efficacy in a mouse model of S. aureus infection with extended activity against Gram-negative and mycobacterial organisms.