4gee - Revision history

OCA at 11:28, 1 March 2024

2024-03-01T11:28:09Z

← Older revision		Revision as of 11:28, 1 March 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecalis_V583 Enterococcus faecalis V583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GEE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecalis_V583 Enterococcus faecalis V583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.7Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [https://pdbe.org/4gee PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [https://www.ebi.ac.uk/pdbsum/4gee PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee 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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [https://pdbe.org/4gee PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [https://www.ebi.ac.uk/pdbsum/4gee PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/GYRB_ENTFA GYRB_ENTFA]		[https://www.uniprot.org/uniprot/GYRB_ENTFA GYRB_ENTFA]
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	The bacterial topoisomerases DNA gyrase (GyrB) and topoisomerase IV (ParE) are essential enzymes that control the topological state of DNA during replication. The high degree of conservation in the ATP-binding pockets of these enzymes make them appealing targets for broad-spectrum inhibitor development. A pyrrolopyrimidine scaffold was identified from a pharmacophore-based fragment screen with optimization potential. Structural characterization of inhibitor complexes conducted using selected GyrB/ParE orthologs aided in the identification of important steric, dynamic and compositional differences in the ATP-binding pockets of the targets, enabling the design of highly potent pyrrolopyrimidine inhibitors with broad enzymatic spectrum and dual targeting activity.

	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.,Tari LW, Trzoss M, Bensen DC, Li X, Chen Z, Lam T, Zhang J, Creighton CJ, Cunningham ML, Kwan B, Stidham M, Shaw KJ, Lightstone FC, Wong SE, Nguyen TB, Nix J, Finn J Bioorg Med Chem Lett. 2012 Dec 5. pii: S0960-894X(12)01475-8. doi:, 10.1016/j.bmcl.2012.11.032. PMID:23352267<ref>PMID:23352267</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 4gee" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==
	*[[Gyrase 3D Structures\|Gyrase 3D Structures]]		*[[Gyrase 3D Structures\|Gyrase 3D Structures]]
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:52, 26 October 2022

2022-10-26T06:52:29Z

← Older revision		Revision as of 06:52, 26 October 2022
Line 1:		Line 1:

	==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==		==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==
	<StructureSection load='4gee' size='340' side='right' caption='[[4gee]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='4gee' size='340' side='right'caption='[[4gee]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Entfa Entfa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4GEE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecalis_V583 Enterococcus faecalis V583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene~~></td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hxw\|4hxw]], [[4hxz\|4hxz]], [[4hy1\|4hy1]], [[4hym\|4hym]], [[4hyp\|4hyp]], [[4hz0\|4hz0]], [[4hz5\|4hz5]]</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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [https://pdbe.org/4gee PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [https://www.ebi.ac.uk/pdbsum/4gee PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">gyrB, EF_0005 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=226185 ENTFA])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [~~http~~://pdbe.org/4gee PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4gee PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[~~[http~~://www.uniprot.org/uniprot/Q839Z1_ENTFA Q839Z1_ENTFA]] DNA gyrase negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded DNA rings, including catenanes and knotted rings (By similarity).[HAMAP-Rule:MF_01898]		[https://www.uniprot.org/uniprot/GYRB_ENTFA GYRB_ENTFA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 20:

	==See Also==		==See Also==
	*[[Gyrase\|Gyrase]]		*[[Gyrase 3D Structures\|Gyrase 3D Structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Entfa~~]]		[[Category: Enterococcus faecalis V583]]
	[[Category: ~~Bensen, D C~~]]		[[Category: Large Structures]]
	[[Category: ~~Chen, Z~~]]		[[Category: Bensen DC]]
	[[Category: ~~Tari, L W~~]]		[[Category: Chen Z]]
	[[Category: ~~Atp-binding]]~~		[[Category: Tari LW]]
	~~[[Category: Atp-binding domain]]~~
	[[Category: Dna gyrase negatively supercoils closed circular double-stranded dna in an atp-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded dna ring]]
	~~[[Category: Isomerase-isomerase inhibitor complex]]~~
	~~[[Category: Nucleotide-binding]]~~
	~~[[Category: Topoisomerase~~]]

OCA at 12:44, 4 August 2016

2016-08-04T12:44:08Z

← Older revision		Revision as of 12:44, 4 August 2016
Line 1:		Line 1:

	==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==		==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==
	<StructureSection load='4gee' size='340' side='right' caption='[[4gee]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='4gee' size='340' side='right' caption='[[4gee]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Enterococcus_faecalis_v583 Enterococcus faecalis v583~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GEE FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Entfa Entfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hxw\|4hxw]], [[4hxz\|4hxz]], [[4hy1\|4hy1]], [[4hym\|4hym]], [[4hyp\|4hyp]], [[4hz0\|4hz0]], [[4hz5\|4hz5]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hxw\|4hxw]], [[4hxz\|4hxz]], [[4hy1\|4hy1]], [[4hym\|4hym]], [[4hyp\|4hyp]], [[4hz0\|4hz0]], [[4hz5\|4hz5]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">gyrB, EF_0005 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=226185 ~~Enterococcus faecalis V583~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">gyrB, EF_0005 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=226185 ENTFA])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee 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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://pdbe.org/4gee PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gee ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 4gee" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Enterococcus faecalis v583~~]]		[[Category: Entfa]]
	[[Category: Bensen, D C]]		[[Category: Bensen, D C]]
	[[Category: Chen, Z]]		[[Category: Chen, Z]]

OCA at 14:40, 24 December 2014

2014-12-24T14:40:32Z

← Older revision		Revision as of 14:40, 24 December 2014
Line 9:		Line 9:
	<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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee 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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee PDBsum]</span></td></tr>
	</table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/Q839Z1_ENTFA Q839Z1_ENTFA]] DNA gyrase negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded DNA rings, including catenanes and knotted rings (By similarity).[HAMAP-Rule:MF_01898]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 09:10, 10 December 2014

2014-12-10T09:10:00Z

← Older revision		Revision as of 09:10, 10 December 2014
Line 1:		Line 1:
	[[~~Image~~:~~4gee~~.~~png~~\|~~left~~\|~~200px~~]]		==Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.==
			<StructureSection load='4gee' size='340' side='right' caption='[[4gee]], [[Resolution\|resolution]] 1.70Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[4gee]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis_v583 Enterococcus faecalis v583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GEE FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0WT:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLOXY)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>0WT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hxw\|4hxw]], [[4hxz\|4hxz]], [[4hy1\|4hy1]], [[4hym\|4hym]], [[4hyp\|4hyp]], [[4hz0\|4hz0]], [[4hz5\|4hz5]]</td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">gyrB, EF_0005 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=226185 Enterococcus faecalis V583])</td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </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=4gee FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gee OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gee RCSB], [http://www.ebi.ac.uk/pdbsum/4gee PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			The bacterial topoisomerases DNA gyrase (GyrB) and topoisomerase IV (ParE) are essential enzymes that control the topological state of DNA during replication. The high degree of conservation in the ATP-binding pockets of these enzymes make them appealing targets for broad-spectrum inhibitor development. A pyrrolopyrimidine scaffold was identified from a pharmacophore-based fragment screen with optimization potential. Structural characterization of inhibitor complexes conducted using selected GyrB/ParE orthologs aided in the identification of important steric, dynamic and compositional differences in the ATP-binding pockets of the targets, enabling the design of highly potent pyrrolopyrimidine inhibitors with broad enzymatic spectrum and dual targeting activity.

	~~{{STRUCTURE_4gee\| PDB=4gee \| SCENE= }}~~		Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.,Tari LW, Trzoss M, Bensen DC, Li X, Chen Z, Lam T, Zhang J, Creighton CJ, Cunningham ML, Kwan B, Stidham M, Shaw KJ, Lightstone FC, Wong SE, Nguyen TB, Nix J, Finn J Bioorg Med Chem Lett. 2012 Dec 5. pii: S0960-894X(12)01475-8. doi:, 10.1016/j.bmcl.2012.11.032. PMID:23352267<ref>PMID:23352267</ref>

	~~===Pyrrolopyrimidine inhibitors~~ of ~~DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization~~ of ~~dual targeting agents with potent, broad-spectrum enzymatic activity~~.~~===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	~~{{ABSTRACT_PUBMED_23352267}}~~		==See Also==
			*[[Gyrase\|Gyrase]]
	==~~About this Structure~~==		== References ==
	[[~~4gee~~]] ~~is a 1 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Enterococcus_faecalis_v583 Enterococcus faecalis v583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA].~~		<references/>
			__TOC__
			</StructureSection>
	[[Category: Enterococcus faecalis v583]]		[[Category: Enterococcus faecalis v583]]
	[[Category: Bensen, D C.]]		[[Category: Bensen, D C]]
	[[Category: Chen, Z.]]		[[Category: Chen, Z]]
	[[Category: Tari, L W.]]		[[Category: Tari, L W]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Atp-binding domain]]		[[Category: Atp-binding domain]]

OCA at 12:57, 27 February 2013

2013-02-27T12:57:16Z

← Older revision		Revision as of 12:57, 27 February 2013
Line 1:		Line 1:
	[[Image:4gee.~~jpg~~\|left\|200px]]		[[Image:4gee.png\|left\|200px]]

	{{STRUCTURE_4gee\| PDB=4gee \| SCENE= }}		{{STRUCTURE_4gee\| PDB=4gee \| SCENE= }}

OCA at 10:28, 13 February 2013

2013-02-13T10:28:17Z

← Older revision		Revision as of 10:28, 13 February 2013
Line 1:		Line 1:
	~~'''Unreleased structure'''~~		[[Image:4gee.jpg\|left\|200px]]

	~~The entry~~ 4gee ~~is ON HOLD~~ ~~until Paper Publication~~		{{STRUCTURE_4gee\| PDB=4gee \| SCENE= }}

	~~Authors~~: ~~Bensen~~, ~~D.C., Chen, Z., Tari, L.W~~.		===Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.===

	~~Description~~: ~~Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV~~, ~~part I~~: ~~structure guided discovery~~ and ~~optimization~~ of ~~dual targeting agents with potent, broad~~-~~spectrum enzymatic activity.~~		{{ABSTRACT_PUBMED_23352267}}

			==About this Structure==
			[[4gee]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis_v583 Enterococcus faecalis v583]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GEE OCA].
			[[Category: Enterococcus faecalis v583]]
			[[Category: Bensen, D C.]]
			[[Category: Chen, Z.]]
			[[Category: Tari, L W.]]
			[[Category: Atp-binding]]
			[[Category: Atp-binding domain]]
			[[Category: Dna gyrase negatively supercoils closed circular double-stranded dna in an atp-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded dna ring]]
			[[Category: Isomerase-isomerase inhibitor complex]]
			[[Category: Nucleotide-binding]]
			[[Category: Topoisomerase]]

OCA at 05:24, 15 August 2012

2012-08-15T05:24:25Z

← Older revision		Revision as of 05:24, 15 August 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 4gee is ON HOLD		The entry 4gee is ON HOLD until Paper Publication

	Authors: Bensen, D.C., Chen, Z, Tari, L.W.		Authors: Bensen, D.C., Chen, Z., Tari, L.W.

	Description: Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.		Description: Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.

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

2012-08-08T05:02:19Z

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

← Older revision	Revision as of 05:02, 8 August 2012
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4gee is ON HOLD Authors: Bensen, D.C., Chen, Z, Tari, L.W. Description: Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: ...

2012-08-08T05:02:18Z

New page: '''Unreleased structure''' The entry 4gee is ON HOLD Authors: Bensen, D.C., Chen, Z, Tari, L.W. Description: Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: ...

New page

'''Unreleased structure'''

The entry 4gee is ON HOLD

Authors: Bensen, D.C., Chen, Z, Tari, L.W.

Description: Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.