4gfn - Revision history

OCA at 11:28, 1 March 2024

OCA — Fri, 01 Mar 2024 11:28:27 GMT

←Older revision		Revision as of 11:28, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GFN FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GFN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</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]] 1.9Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [https://pdbe.org/4gfn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [https://www.ebi.ac.uk/pdbsum/4gfn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gfn 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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [https://pdbe.org/4gfn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [https://www.ebi.ac.uk/pdbsum/4gfn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gfn 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 4gfn" 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 06:54, 26 October 2022

OCA — Wed, 26 Oct 2022 06:54:39 GMT

←Older revision		Revision as of 06:54, 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==		==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==
-	<StructureSection load='4gfn' size='340' side='right' caption='[[4gfn]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='4gfn' size='340' side='right'caption='[[4gfn]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4GFN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GFN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gee\|4gee]], [[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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [https://pdbe.org/4gfn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [https://www.ebi.ac.uk/pdbsum/4gfn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gfn ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">EF_0005, gyrB ([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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [~~http~~://pdbe.org/4gfn PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4gfn PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4gfn 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: ~~Tari, L W~~]]	+	[[Category: Bensen DC]]
-	[[Category: ~~Trzoss, M~~]]	+	[[Category: Tari LW]]
-	[[Category: ~~Atp-binding]]~~	+	[[Category: Trzoss M]]
-	~~[[Category: Atp-binding domain]]~~	+
-	~~[[Category: Cytosol]]~~	+
-	[[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 19:06, 4 August 2016

OCA — Thu, 04 Aug 2016 19:06:39 GMT

←Older revision		Revision as of 19:06, 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==		==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==
	<StructureSection load='4gfn' size='340' side='right' caption='[[4gfn]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4gfn' size='340' side='right' caption='[[4gfn]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GFN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GFN FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gee\|4gee]], [[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">[[4gee\|4gee]], [[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">EF_0005, gyrB ([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">EF_0005, gyrB ([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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [http://www.ebi.ac.uk/pdbsum/4gfn 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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [http://pdbe.org/4gfn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [http://www.ebi.ac.uk/pdbsum/4gfn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gfn 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 4gfn" 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: Tari, L W]]		[[Category: Tari, L W]]

OCA at 12:14, 25 December 2014

OCA — Thu, 25 Dec 2014 12:14:29 GMT

←Older revision		Revision as of 12:14, 25 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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [http://www.ebi.ac.uk/pdbsum/4gfn 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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [http://www.ebi.ac.uk/pdbsum/4gfn 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 09:11, 10 December 2014

OCA — Wed, 10 Dec 2014 09:11:43 GMT

←Older revision		Revision as of 09:11, 10 December 2014
Line 1:		Line 1:
-	[[~~Image:~~4gfn.~~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==
		+	<StructureSection load='4gfn' size='340' side='right' caption='[[4gfn]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4gfn]] 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=4GFN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GFN FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SUY:(1R,5S,6S)-3-[5-CHLORO-6-ETHYL-2-(PYRIMIDIN-5-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE'>SUY</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4gee\|4gee]], [[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">EF_0005, gyrB ([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=4gfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gfn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gfn RCSB], [http://www.ebi.ac.uk/pdbsum/4gfn 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_4gfn\| PDB=4gfn \| 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===~~	+	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 ==
-	[[~~4gfn~~]] ~~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=4GFN OCA].~~	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Enterococcus faecalis v583]]		[[Category: Enterococcus faecalis v583]]
-	[[Category: Bensen, D C.]]	+	[[Category: Bensen, D C]]
-	[[Category: Tari, L W.]]	+	[[Category: Tari, L W]]
-	[[Category: Trzoss, M.]]	+	[[Category: Trzoss, M]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Atp-binding domain]]		[[Category: Atp-binding domain]]

OCA at 12:59, 27 February 2013

OCA — Wed, 27 Feb 2013 12:59:28 GMT

←Older revision		Revision as of 12:59, 27 February 2013
Line 1:		Line 1:
-	[[Image:4gfn.~~jpg~~\|left\|200px]]	+	[[Image:4gfn.png\|left\|200px]]

	{{STRUCTURE_4gfn\| PDB=4gfn \| SCENE= }}		{{STRUCTURE_4gfn\| PDB=4gfn \| SCENE= }}

OCA at 10:29, 13 February 2013

OCA — Wed, 13 Feb 2013 10:29:00 GMT

←Older revision		Revision as of 10:29, 13 February 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4gfn.jpg\|left\|200px]]

-	~~The entry~~ 4gfn ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_4gfn\| PDB=4gfn \| SCENE= }}

-	~~Authors~~: ~~Bensen, D.C., Trzoss, M., 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===

-	~~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~~	+	{{ABSTRACT_PUBMED_23352267}}
		+
		+	==About this Structure==
		+	[[4gfn]] 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=4GFN OCA].
		+	[[Category: Enterococcus faecalis v583]]
		+	[[Category: Bensen, D C.]]
		+	[[Category: Tari, L W.]]
		+	[[Category: Trzoss, M.]]
		+	[[Category: Atp-binding]]
		+	[[Category: Atp-binding domain]]
		+	[[Category: Cytosol]]
		+	[[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 06:51, 19 September 2012

OCA — Wed, 19 Sep 2012 06:51:43 GMT

←Older revision		Revision as of 06:51, 19 September 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4gfn is ON HOLD	+	The entry 4gfn is ON HOLD until Paper Publication

	Authors: Bensen, D.C., Trzoss, M., Tari, L.W.		Authors: Bensen, D.C., Trzoss, M., 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		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

OCA at 04:46, 29 August 2012

OCA — Wed, 29 Aug 2012 04:46:00 GMT

←Older revision		Revision as of 04:46, 29 August 2012
Line 5:		Line 5:
	Authors: Bensen, D.C., Trzoss, M., Tari, L.W.		Authors: Bensen, D.C., Trzoss, M., 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

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

OCA — Wed, 15 Aug 2012 05:24:59 GMT

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

←Older revision

Revision as of 05:24, 15 August 2012