4hy1 - Revision history

OCA at 11:47, 1 March 2024

2024-03-01T11:47:44Z

←Older revision		Revision as of 11:47, 1 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_LVS Francisella tularensis subsp. holarctica LVS]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_LVS Francisella tularensis subsp. holarctica LVS]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</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=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [https://pdbe.org/4hy1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [https://www.ebi.ac.uk/pdbsum/4hy1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hy1 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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [https://pdbe.org/4hy1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [https://www.ebi.ac.uk/pdbsum/4hy1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hy1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/PARE_FRATH PARE_FRATH] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA (PubMed:23352267, PubMed:23294697, PubMed:24386374). Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00938]<ref>PMID:23352267</ref> <ref>PMID:24386374</ref> <ref>PMID:23294697</ref>		[https://www.uniprot.org/uniprot/PARE_FRATH PARE_FRATH] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA (PubMed:23352267, PubMed:23294697, PubMed:24386374). Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00938]<ref>PMID:23352267</ref> <ref>PMID:24386374</ref> <ref>PMID:23294697</ref>
-	<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 4hy1" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 08:25, 9 November 2022

2022-11-09T08:25:25Z

←Older revision		Revision as of 08:25, 9 November 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='4hy1' size='340' side='right' caption='[[4hy1]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='4hy1' size='340' side='right'caption='[[4hy1]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Frath Frath~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_LVS Francisella tularensis subsp. holarctica LVS]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxz\|4hxz]], [[4gee\|4gee]], [[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hyp\|4hyp]], [[4hym\|4hym]]</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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [https://pdbe.org/4hy1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [https://www.ebi.ac.uk/pdbsum/4hy1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hy1 ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DNA topoisomerase IV subunit B ParE, FTL_1726 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=376619 FRATH])</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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [~~http~~://pdbe.org/4hy1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4hy1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4hy1 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/PARE_FRATH PARE_FRATH] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA (PubMed:23352267, PubMed:23294697, PubMed:24386374). Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00938]<ref>PMID:23352267</ref> <ref>PMID:24386374</ref> <ref>PMID:23294697</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4hy1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4hy1" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Topoisomerase 3D structures\|Topoisomerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Frath~~]]	+	[[Category: Francisella tularensis subsp. holarctica LVS]]
-	[[Category: ~~Bensen, D C~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Creighton, C J~~]]	+	[[Category: Bensen DC]]
-	[[Category: ~~Kwan, B~~]]	+	[[Category: Creighton CJ]]
-	[[Category: ~~Tari, L W~~]]	+	[[Category: Kwan B]]
-	[[Category: ~~Atp-binding]]~~	+	[[Category: Tari LW]]
-	~~[[Category: Atp-binding domain]]~~	+
-	~~[[Category: Isomerase-isomerase inhibitor complex]]~~	+
-	~~[[Category: Nucleotide-binding]]~~	+
-	~~[[Category: Topoisomerase~~]]	+

OCA at 20:01, 24 January 2018

2018-01-24T20:01:16Z

←Older revision		Revision as of 20:01, 24 January 2018
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4hy1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4hy1" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Topoisomerase\|Topoisomerase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:24, 23 December 2016

2016-12-23T07:24:15Z

←Older revision		Revision as of 07:24, 23 December 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='4hy1' size='340' side='right' caption='[[4hy1]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4hy1' size='340' side='right' caption='[[4hy1]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Francisella_tularensis_subsp._holarctica_lvs Francisella tularensis subsp. holarctica lvs~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Frath Frath]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxz\|4hxz]], [[4gee\|4gee]], [[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hyp\|4hyp]], [[4hym\|4hym]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxz\|4hxz]], [[4gee\|4gee]], [[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hyp\|4hyp]], [[4hym\|4hym]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DNA topoisomerase IV subunit B ParE, FTL_1726 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=376619 ~~Francisella tularensis subsp. holarctica LVS~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DNA topoisomerase IV subunit B ParE, FTL_1726 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=376619 FRATH])</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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4hy1 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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [http://pdbe.org/4hy1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4hy1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4hy1 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	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 4hy1" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Francisella tularensis subsp. holarctica lvs~~]]	+	[[Category: Frath]]
	[[Category: Bensen, D C]]		[[Category: Bensen, D C]]
	[[Category: Creighton, C J]]		[[Category: Creighton, C J]]

OCA at 16:59, 10 December 2014

2014-12-10T16:59:01Z

←Older revision		Revision as of 16:59, 10 December 2014
Line 1:		Line 1:
-	[[~~Image:~~4hy1.~~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='4hy1' size='340' side='right' caption='[[4hy1]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4hy1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_lvs Francisella tularensis subsp. holarctica lvs]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HY1 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=19X:6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE'>19X</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hxz\|4hxz]], [[4gee\|4gee]], [[4gfn\|4gfn]], [[4ggl\|4ggl]], [[4hyp\|4hyp]], [[4hym\|4hym]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DNA topoisomerase IV subunit B ParE, FTL_1726 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=376619 Francisella tularensis subsp. holarctica LVS])</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=4hy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hy1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4hy1 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_4hy1\| PDB=4hy1 \| 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==
-		+	*[[Topoisomerase\|Topoisomerase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~4hy1~~]] ~~is a 2 chain structure with sequence from [http:~~//en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_lvs Francisella tularensis subsp. holarctica lvs]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA].	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Francisella tularensis subsp. holarctica lvs]]		[[Category: Francisella tularensis subsp. holarctica lvs]]
-	[[Category: Bensen, D C.]]	+	[[Category: Bensen, D C]]
-	[[Category: Creighton, C J.]]	+	[[Category: Creighton, C J]]
	[[Category: Kwan, B]]		[[Category: Kwan, B]]
-	[[Category: Tari, L W.]]	+	[[Category: Tari, L W]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Atp-binding domain]]		[[Category: Atp-binding domain]]

OCA at 13:38, 27 February 2013

2013-02-27T13:38:54Z

←Older revision		Revision as of 13:38, 27 February 2013
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-	[[Image:4hy1.~~jpg~~\|left\|200px]]	+	[[Image:4hy1.png\|left\|200px]]

	{{STRUCTURE_4hy1\| PDB=4hy1 \| SCENE= }}		{{STRUCTURE_4hy1\| PDB=4hy1 \| SCENE= }}

OCA at 10:28, 13 February 2013

2013-02-13T10:28:29Z

←Older revision		Revision as of 10:28, 13 February 2013
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-	~~'''Unreleased structure'''~~	+	[[Image:4hy1.jpg\|left\|200px]]

-	~~The entry~~ 4hy1 ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_4hy1\| PDB=4hy1 \| SCENE= }}

-	~~Authors~~: ~~Bensen~~, ~~D.C., Creighton, C.J., Kwan, B, 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==
		+	[[4hy1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Francisella_tularensis_subsp._holarctica_lvs Francisella tularensis subsp. holarctica lvs]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HY1 OCA].
		+	[[Category: Francisella tularensis subsp. holarctica lvs]]
		+	[[Category: Bensen, D C.]]
		+	[[Category: Creighton, C J.]]
		+	[[Category: Kwan, B]]
		+	[[Category: Tari, L W.]]
		+	[[Category: Atp-binding]]
		+	[[Category: Atp-binding domain]]
		+	[[Category: Isomerase-isomerase inhibitor complex]]
		+	[[Category: Nucleotide-binding]]
		+	[[Category: Topoisomerase]]

OCA at 11:06, 23 January 2013

2013-01-23T11:06:51Z

←Older revision		Revision as of 11:06, 23 January 2013
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4hy1 is ON HOLD	+	The entry 4hy1 is ON HOLD until Paper Publication

	Authors: Bensen, D.C., Creighton, C.J., Kwan, B, Tari, L.W.		Authors: Bensen, D.C., Creighton, C.J., Kwan, B, 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 "4hy1" [edit=sysop:move=sysop]

2012-11-21T09:09:30Z

Protected "4hy1" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:09, 21 November 2012

OCA: New page: '''Unreleased structure''' The entry 4hy1 is ON HOLD Authors: Bensen, D.C., Creighton, C.J., Kwan, B, Tari, L.W. Description: Pyrrolopyrimidine inhibitors of dna gyrase b and topoisome...

2012-11-21T09:09:29Z

New page: '''Unreleased structure''' The entry 4hy1 is ON HOLD Authors: Bensen, D.C., Creighton, C.J., Kwan, B, Tari, L.W. Description: Pyrrolopyrimidine inhibitors of dna gyrase b and topoisome...

New page

'''Unreleased structure'''

The entry 4hy1 is ON HOLD

Authors: Bensen, D.C., Creighton, C.J., Kwan, B, 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.