5yig - Revision history

OCA at 10:23, 27 March 2024

2024-03-27T10:23:38Z

←Older revision		Revision as of 10:23, 27 March 2024
Line 3:		Line 3:
	<StructureSection load='5yig' size='340' side='right'caption='[[5yig]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='5yig' size='340' side='right'caption='[[5yig]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5yig]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YIG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5YIG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5yig]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_GA47502 Streptococcus pneumoniae GA47502]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YIG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5YIG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=54B:1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea'>54B</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]] 2.8Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=54B:1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea'>54B</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5yig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yig OCA], [~~http~~://pdbe.org/5yig PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5yig RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5yig PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5yig 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=5yig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yig OCA], [https://pdbe.org/5yig PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5yig RCSB], [https://www.ebi.ac.uk/pdbsum/5yig PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5yig ProSAT]</span></td></tr>
	</table>		</table>
-	== Function ==
-	[[http://www.uniprot.org/uniprot/G6JAH7_STREE G6JAH7_STREE]] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA. Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00939]
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Even though many GyrB and ParE inhibitors have been reported in the literature, few possess activity against Gram-negative bacteria. This is primarily due to limited permeability across Gram-negative bacterial membrane as well as bacterial efflux mechanisms. Permeability of compounds across Gram-negative bacterial membranes depends on many factors including physicochemical properties of the inhibitors. Herein, we show the optimization of pyridylureas leading to compounds with potent activity against Gram-negative bacterial species such as P.aeruginosa, E.coli and A.baumannii.
-
-	Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.,Ho SY, Wang W, Ng FM, Wong YX, Poh ZY, Tan SWE, Ang SH, Liew SS, Joyner Wong YS, Tan Y, Poulsen A, Pendharkar V, Sangthongpitag K, Manchester J, Basarab G, Hill J, Keller TH, Cherian J Eur J Med Chem. 2018 Aug 11;157:610-621. doi: 10.1016/j.ejmech.2018.08.025. PMID:30125722<ref>PMID:30125722</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 5yig" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Topoisomerase 3D structures\|Topoisomerase 3D structures]]		*[[Topoisomerase 3D structures\|Topoisomerase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Cherian, J~~]]	+	[[Category: Streptococcus pneumoniae GA47502]]
-	[[Category: ~~Hill,~~ J]]	+	[[Category: Cherian J]]
-	[[Category: ~~Tan, Y~~]]	+	[[Category: Hill J]]
-	[[Category: ~~Antimicrobial protein]]~~	+	[[Category: Tan Y]]
-	~~[[Category: Inhibitor~~]]	+

OCA at 09:20, 21 October 2020

2020-10-21T09:20:19Z

←Older revision		Revision as of 09:20, 21 October 2020
Line 1:		Line 1:

	==Crystal structure of Streptococcus pneumonia ParE with inhibitor==		==Crystal structure of Streptococcus pneumonia ParE with inhibitor==
-	<StructureSection load='5yig' size='340' side='right' caption='[[5yig]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='5yig' size='340' side='right'caption='[[5yig]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5yig]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YIG OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5YIG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5yig]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YIG OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5YIG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=54B:1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea'>54B</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=54B:1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea'>54B</scene></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=5yig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yig OCA], [http://pdbe.org/5yig PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yig RCSB], [http://www.ebi.ac.uk/pdbsum/5yig PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yig ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5yig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yig OCA], [http://pdbe.org/5yig PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yig RCSB], [http://www.ebi.ac.uk/pdbsum/5yig PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yig ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5yig" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5yig" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Topoisomerase 3D structures\|Topoisomerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Cherian, J]]		[[Category: Cherian, J]]
	[[Category: Hill, J]]		[[Category: Hill, J]]

OCA at 10:01, 5 September 2018

2018-09-05T10:01:06Z

←Older revision		Revision as of 10:01, 5 September 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5yig is ~~ON HOLD~~	+	==Crystal structure of Streptococcus pneumonia ParE with inhibitor==
		+	<StructureSection load='5yig' size='340' side='right' caption='[[5yig]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5yig]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5YIG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5YIG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=54B:1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea'>54B</scene></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=5yig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5yig OCA], [http://pdbe.org/5yig PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5yig RCSB], [http://www.ebi.ac.uk/pdbsum/5yig PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5yig ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/G6JAH7_STREE G6JAH7_STREE]] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA. Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00939]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Even though many GyrB and ParE inhibitors have been reported in the literature, few possess activity against Gram-negative bacteria. This is primarily due to limited permeability across Gram-negative bacterial membrane as well as bacterial efflux mechanisms. Permeability of compounds across Gram-negative bacterial membranes depends on many factors including physicochemical properties of the inhibitors. Herein, we show the optimization of pyridylureas leading to compounds with potent activity against Gram-negative bacterial species such as P.aeruginosa, E.coli and A.baumannii.

-	~~Authors: Cherian, J~~., Tan, Y., Hill, J.	+	Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.,Ho SY, Wang W, Ng FM, Wong YX, Poh ZY, Tan SWE, Ang SH, Liew SS, Joyner Wong YS, Tan Y, Poulsen A, Pendharkar V, Sangthongpitag K, Manchester J, Basarab G, Hill J, Keller TH, Cherian J Eur J Med Chem. 2018 Aug 11;157:610-621. doi: 10.1016/j.ejmech.2018.08.025. PMID:30125722<ref>PMID:30125722</ref>

-	~~Description: Crystal structure~~ of ~~Streptococcus pneumonia ParE with inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Hill, J]]~~	+	<div class="pdbe-citations 5yig" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Cherian, J]]		[[Category: Cherian, J]]
		+	[[Category: Hill, J]]
	[[Category: Tan, Y]]		[[Category: Tan, Y]]
		+	[[Category: Antimicrobial protein]]
		+	[[Category: Inhibitor]]

OCA: Protected "5yig" [edit=sysop:move=sysop]

2017-10-11T05:24:48Z

Protected "5yig" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:24, 11 October 2017

OCA: New page: '''Unreleased structure''' The entry 5yig is ON HOLD Authors: Cherian, J., Tan, Y., Hill, J. Description: Crystal structure of Streptococcus pneumonia ParE with inhibitor [[Category: U...

2017-10-11T05:24:47Z

New page: '''Unreleased structure''' The entry 5yig is ON HOLD Authors: Cherian, J., Tan, Y., Hill, J. Description: Crystal structure of Streptococcus pneumonia ParE with inhibitor [[Category: U...

New page

'''Unreleased structure'''

The entry 5yig is ON HOLD

Authors: Cherian, J., Tan, Y., Hill, J.

Description: Crystal structure of Streptococcus pneumonia ParE with inhibitor
[[Category: Unreleased Structures]]
[[Category: Hill, J]]
[[Category: Cherian, J]]
[[Category: Tan, Y]]