4hyp - Revision history

OCA at 11:48, 1 March 2024

2024-03-01T11:48:06Z

← Older revision		Revision as of 11:48, 1 March 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HYP FirstGlance]. <br>		<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HYP FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.6Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [https://pdbe.org/4hyp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [https://www.ebi.ac.uk/pdbsum/4hyp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hyp 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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [https://pdbe.org/4hyp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [https://www.ebi.ac.uk/pdbsum/4hyp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hyp ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/GYRB_ECOLI GYRB_ECOLI] 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.<ref>PMID:12051843</ref> <ref>PMID:18642932</ref> <ref>PMID:20675723</ref>		[https://www.uniprot.org/uniprot/GYRB_ECOLI GYRB_ECOLI] 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.<ref>PMID:12051843</ref> <ref>PMID:18642932</ref> <ref>PMID:20675723</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 4hyp" style="background-color:#fffaf0;"></div>~~

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

OCA at 08:27, 9 November 2022

2022-11-09T08:27:38Z

← Older revision		Revision as of 08:27, 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='4hyp' size='340' side='right' caption='[[4hyp]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='4hyp' size='340' side='right'caption='[[4hyp]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecoli Ecoli~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4HYP FirstGlance]. <br>		<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HYP FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene~~></td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hym\|4hym]], [[4hy1\|4hy1]], [[4hz0\|4hz0]], [[4hz5\|4hz5]], [[4hxz\|4hxz]], [[4ggl\|4ggl]], [[4gfn\|4gfn]], [[4gee\|4gee]], [[4hxw\|4hxw]]</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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [https://pdbe.org/4hyp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [https://www.ebi.ac.uk/pdbsum/4hyp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hyp ProSAT]</span></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">acrB, b3699, gyrB, himB, hisU, JW5625, nalC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [~~http~~://pdbe.org/4hyp PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4hyp PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4hyp ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[~~[http~~://www.uniprot.org/uniprot/GYRB_ECOLI GYRB_ECOLI]] 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.<ref>PMID:12051843</ref> <ref>PMID:18642932</ref> <ref>PMID:20675723</ref>		[https://www.uniprot.org/uniprot/GYRB_ECOLI GYRB_ECOLI] 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.<ref>PMID:12051843</ref> <ref>PMID:18642932</ref> <ref>PMID:20675723</ref>
	<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: ~~Ecoli]]~~		[[Category: Escherichia coli K-12]]
	~~[[Category: Bensen, D C]]~~		[[Category: Large Structures]]
	~~[[Category: Creighton, C J]]~~		[[Category: Bensen DC]]
	~~[[Category: Tari, L W]]~~		[[Category: Creighton CJ]]
	~~[[Category: Atp~~-~~binding~~]]		[[Category: Tari LW]]
	[[Category: ~~Atp-binding domain~~]]
	[[Category: ~~Gyrase~~]]
	[[Category: ~~Gyrb~~]]
	[[Category: ~~Isomerase-isomerase inhibitor complex]]~~
	~~[[Category: Nucleotide-binding]]~~
	~~[[Category: Topoisomerase~~]]

OCA at 09:27, 5 August 2016

2016-08-05T09:27:07Z

← Older revision		Revision as of 09:27, 5 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='4hyp' size='340' side='right' caption='[[4hyp]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='4hyp' size='340' side='right' caption='[[4hyp]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Escherichia_coli_k-12 Escherichia coli k-12~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HYP FirstGlance]. <br>		<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HYP FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hym\|4hym]], [[4hy1\|4hy1]], [[4hz0\|4hz0]], [[4hz5\|4hz5]], [[4hxz\|4hxz]], [[4ggl\|4ggl]], [[4gfn\|4gfn]], [[4gee\|4gee]], [[4hxw\|4hxw]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hym\|4hym]], [[4hy1\|4hy1]], [[4hz0\|4hz0]], [[4hz5\|4hz5]], [[4hxz\|4hxz]], [[4ggl\|4ggl]], [[4gfn\|4gfn]], [[4gee\|4gee]], [[4hxw\|4hxw]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">acrB, b3699, gyrB, himB, hisU, JW5625, nalC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ~~Escherichia coli K-12~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">acrB, b3699, gyrB, himB, hisU, JW5625, nalC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [http://www.ebi.ac.uk/pdbsum/4hyp 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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [http://pdbe.org/4hyp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [http://www.ebi.ac.uk/pdbsum/4hyp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4hyp 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 4hyp" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Escherichia coli k-12~~]]		[[Category: Ecoli]]
	[[Category: Bensen, D C]]		[[Category: Bensen, D C]]
	[[Category: Creighton, C J]]		[[Category: Creighton, C J]]

OCA at 17:39, 25 December 2014

2014-12-25T17:39:53Z

← Older revision		Revision as of 17:39, 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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [http://www.ebi.ac.uk/pdbsum/4hyp 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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [http://www.ebi.ac.uk/pdbsum/4hyp PDBsum]</span></td></tr>
	</table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/GYRB_ECOLI GYRB_ECOLI]] 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.<ref>PMID:12051843</ref> <ref>PMID:18642932</ref> <ref>PMID:20675723</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 16:54, 10 December 2014

2014-12-10T16:54:05Z

← Older revision		Revision as of 16:54, 10 December 2014
Line 1:		Line 1:
	[[~~Image~~:~~4hyp~~.~~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='4hyp' size='340' side='right' caption='[[4hyp]], [[Resolution\|resolution]] 2.60Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[4hyp]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_k-12 Escherichia coli k-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HYP FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1A1:N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE'>1A1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4hym\|4hym]], [[4hy1\|4hy1]], [[4hz0\|4hz0]], [[4hz5\|4hz5]], [[4hxz\|4hxz]], [[4ggl\|4ggl]], [[4gfn\|4gfn]], [[4gee\|4gee]], [[4hxw\|4hxw]]</td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">acrB, b3699, gyrB, himB, hisU, JW5625, nalC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 Escherichia coli K-12])</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=4hyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hyp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hyp RCSB], [http://www.ebi.ac.uk/pdbsum/4hyp 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_4hyp\| PDB=4hyp \| 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 ==
	[[~~4hyp~~]] ~~is a 4 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Escherichia_coli_k-12 Escherichia coli k-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA].~~		<references/>
			__TOC__
			</StructureSection>
	[[Category: Escherichia coli k-12]]		[[Category: Escherichia coli k-12]]
	[[Category: Bensen, D C.]]		[[Category: Bensen, D C]]
	[[Category: Creighton, C J.]]		[[Category: Creighton, C J]]
	[[Category: Tari, L W.]]		[[Category: Tari, L W]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Atp-binding domain]]		[[Category: Atp-binding domain]]

OCA at 13:25, 27 February 2013

2013-02-27T13:25:48Z

← Older revision		Revision as of 13:25, 27 February 2013
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	[[Image:4hyp.~~jpg~~\|left\|200px]]		[[Image:4hyp.png\|left\|200px]]

	{{STRUCTURE_4hyp\| PDB=4hyp \| SCENE= }}		{{STRUCTURE_4hyp\| PDB=4hyp \| SCENE= }}

OCA at 10:33, 13 February 2013

2013-02-13T10:33:14Z

← Older revision		Revision as of 10:33, 13 February 2013
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	~~'''Unreleased structure'''~~		[[Image:4hyp.jpg\|left\|200px]]

	~~The entry~~ 4hyp ~~is ON HOLD~~ ~~until Paper Publication~~		{{STRUCTURE_4hyp\| PDB=4hyp \| SCENE= }}

	~~Authors~~: ~~Bensen, D.C., Creighton~~, ~~C.J., 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==
			[[4hyp]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_k-12 Escherichia coli k-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HYP OCA].
			[[Category: Escherichia coli k-12]]
			[[Category: Bensen, D C.]]
			[[Category: Creighton, C J.]]
			[[Category: Tari, L W.]]
			[[Category: Atp-binding]]
			[[Category: Atp-binding domain]]
			[[Category: Gyrase]]
			[[Category: Gyrb]]
			[[Category: Isomerase-isomerase inhibitor complex]]
			[[Category: Nucleotide-binding]]
			[[Category: Topoisomerase]]

OCA at 10:30, 5 December 2012

2012-12-05T10:30:27Z

← Older revision		Revision as of 10:30, 5 December 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

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

2012-11-21T09:10:11Z

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

← Older revision	Revision as of 09:10, 21 November 2012
(No difference)

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

2012-11-21T09:10:10Z

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

New page

'''Unreleased structure'''

The entry 4hyp is ON HOLD

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