6e0q - Revision history

OCA at 06:17, 11 October 2023

OCA — Wed, 11 Oct 2023 06:17:00 GMT

←Older revision		Revision as of 06:17, 11 October 2023
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	<StructureSection load='6e0q' size='340' side='right'caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='6e0q' size='340' side='right'caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~I09a0 I09a0~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/California/04/2009(H1N1)) Influenza A virus (A/California/04/2009(H1N1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HKD:4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic+acid'>HKD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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]] 2.35Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=641501 I09A0])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HKD:4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic+acid'>HKD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></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=6e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e0q OCA], [~~http~~://pdbe.org/6e0q PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6e0q RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6e0q PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6e0q 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=6e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e0q OCA], [https://pdbe.org/6e0q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6e0q RCSB], [https://www.ebi.ac.uk/pdbsum/6e0q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6e0q ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/C3W5S0_I09A0 C3W5S0_I09A0]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6e0q" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6e0q" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[RNA polymerase 3D structures\|RNA polymerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: I09a0]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cohen~~, S M~~]]	+	[[Category: Cohen SM]]
-	[[Category: Dick~~, B L~~]]	+	[[Category: Dick BL]]
-	[[Category: Morrison~~, C N]]~~	+	[[Category: Morrison CN]]
-	~~[[Category: Endonuclease]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Influenza]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Pa domain]]~~	+
-	~~[[Category: Viral protein~~]]	+

OCA at 11:10, 1 January 2020

OCA — Wed, 01 Jan 2020 11:10:30 GMT

←Older revision		Revision as of 11:10, 1 January 2020
Line 1:		Line 1:

	==The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid==		==The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid==
-	<StructureSection load='6e0q' size='340' side='right' caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>	+	<StructureSection load='6e0q' size='340' side='right'caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/I09a0 I09a0]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>		<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/I09a0 I09a0]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>
Line 22:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: I09a0]]		[[Category: I09a0]]
		+	[[Category: Large Structures]]
	[[Category: Cohen, S M]]		[[Category: Cohen, S M]]
	[[Category: Dick, B L]]		[[Category: Dick, B L]]

OCA at 07:04, 5 December 2018

OCA — Wed, 05 Dec 2018 07:04:03 GMT

←Older revision		Revision as of 07:04, 5 December 2018
Line 3:		Line 3:
	<StructureSection load='6e0q' size='340' side='right' caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>		<StructureSection load='6e0q' size='340' side='right' caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/I09a0 I09a0]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HKD:4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic+acid'>HKD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HKD:4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic+acid'>HKD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=641501 I09A0])</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=6e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e0q OCA], [http://pdbe.org/6e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e0q RCSB], [http://www.ebi.ac.uk/pdbsum/6e0q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e0q ProSAT]</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=6e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e0q OCA], [http://pdbe.org/6e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e0q RCSB], [http://www.ebi.ac.uk/pdbsum/6e0q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e0q ProSAT]</span></td></tr>
	</table>		</table>
Line 20:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: I09a0]]
	[[Category: Cohen, S M]]		[[Category: Cohen, S M]]
	[[Category: Dick, B L]]		[[Category: Dick, B L]]

OCA at 12:14, 7 November 2018

OCA — Wed, 07 Nov 2018 12:14:31 GMT

←Older revision		Revision as of 12:14, 7 November 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	The ~~entry~~ 6e0q is ~~ON HOLD until Paper~~ Publication	+	==The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid==
		+	<StructureSection load='6e0q' size='340' side='right' caption='[[6e0q]], [[Resolution\|resolution]] 2.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6e0q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E0Q FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HKD:4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic+acid'>HKD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></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=6e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e0q OCA], [http://pdbe.org/6e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e0q RCSB], [http://www.ebi.ac.uk/pdbsum/6e0q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e0q ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Metalloenzymes represent an important target space for drug discovery. A limitation to the early development of metalloenzyme inhibitors has been the lack of established structure-activity relationships (SARs) for molecules that bind the metal ion cofactor(s) of a metalloenzyme. Herein, we employed a bioinorganic perspective to develop an SAR for inhibition of the metalloenzyme influenza RNA polymerase PAN endonuclease. The identified trends highlight the importance of the electronics of the metal-binding pharmacophore (MBP), in addition to MBP sterics, for achieving improved inhibition and selectivity. By optimization of the MBPs for PAN endonuclease, a class of highly active and selective fragments was developed that displays IC50 values <50 nM. This SAR led to structurally distinct molecules that also displayed IC50 values of approximately 10 nM, illustrating the utility of a metal-centric development campaign in generating highly active and selective metalloenzyme inhibitors.

-	~~Authors: Dick, B.L~~., Morrison, ~~C.N.~~, ~~Cohen~~, S.M.	+	Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.,Credille CV, Dick BL, Morrison CN, Stokes RW, Adamek RN, Wu NC, Wilson IA, Cohen SM J Med Chem. 2018 Oct 31. doi: 10.1021/acs.jmedchem.8b01363. PMID:30351002<ref>PMID:30351002</ref>

-	~~Description: The N-terminal domain~~ of ~~PA endonuclease from~~ the ~~influenza H1N1 virus in complex with 4,6~~-~~dihydroxy~~-~~2-methyl-5-oxocyclohepta-1~~,~~3,6-triene-1-carboxylic acid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: Morrison, C.N]]	+	<div class="pdbe-citations 6e0q" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Dick, B.L~~]]	+	== References ==
-	[[Category: ~~Cohen, S.M~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Cohen, S M]]
		+	[[Category: Dick, B L]]
		+	[[Category: Morrison, C N]]
		+	[[Category: Endonuclease]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Influenza]]
		+	[[Category: Inhibitor]]
		+	[[Category: Pa domain]]
		+	[[Category: Viral protein]]

OCA at 19:48, 9 August 2018

OCA — Thu, 09 Aug 2018 19:48:06 GMT

←Older revision		Revision as of 19:48, 9 August 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6e0q is ON HOLD	+	The entry 6e0q is ON HOLD until Paper Publication

	Authors: Dick, B.L., Morrison, C.N., Cohen, S.M.		Authors: Dick, B.L., Morrison, C.N., Cohen, S.M.

OCA: Protected "6e0q" [edit=sysop:move=sysop]

OCA — Wed, 18 Jul 2018 05:33:35 GMT

Protected "6e0q" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:33, 18 July 2018

OCA: New page: '''Unreleased structure''' The entry 6e0q is ON HOLD Authors: Dick, B.L., Morrison, C.N., Cohen, S.M. Description: The N-terminal domain of PA endonuclease from the influenza H1N1 viru...

OCA — Wed, 18 Jul 2018 05:33:32 GMT

New page: '''Unreleased structure''' The entry 6e0q is ON HOLD Authors: Dick, B.L., Morrison, C.N., Cohen, S.M. Description: The N-terminal domain of PA endonuclease from the influenza H1N1 viru...

New page

'''Unreleased structure'''

The entry 6e0q is ON HOLD

Authors: Dick, B.L., Morrison, C.N., Cohen, S.M.

Description: The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
[[Category: Unreleased Structures]]
[[Category: Morrison, C.N]]
[[Category: Dick, B.L]]
[[Category: Cohen, S.M]]