5cuq - Revision history

OCA at 08:40, 27 September 2023

2023-09-27T08:40:39Z

←Older revision		Revision as of 08:40, 27 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</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]] 1.696Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [https://pdbe.org/5cuq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [https://www.ebi.ac.uk/pdbsum/5cuq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cuq 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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [https://pdbe.org/5cuq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [https://www.ebi.ac.uk/pdbsum/5cuq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cuq ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:28, 14 June 2023

2023-06-14T12:28:33Z

←Older revision		Revision as of 12:28, 14 June 2023
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	<StructureSection load='5cuq' size='340' side='right'caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='5cuq' size='340' side='right'caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [~~http~~://pdbe.org/5cuq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5cuq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5cuq 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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [https://pdbe.org/5cuq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [https://www.ebi.ac.uk/pdbsum/5cuq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cuq ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/C0LMU0_9FLAV C0LMU0_9FLAV]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	[[Category: Dengue virus 3]]		[[Category: Dengue virus 3]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Banavali~~, N K~~]]	+	[[Category: Banavali NK]]
-	[[Category: Brecher, B]]	+	[[Category: Brecher B]]
-	[[Category: Chen, H]]	+	[[Category: Chen H]]
-	[[Category: Jones~~, S A~~]]	+	[[Category: Jones SA]]
-	[[Category: Kramer~~, L D~~]]	+	[[Category: Kramer LD]]
-	[[Category: Li~~, H M~~]]	+	[[Category: Li HM]]
-	[[Category: Li, Z]]	+	[[Category: Li Z]]
-	[[Category: Zhang, J]]	+	[[Category: Zhang J]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Dengue virus]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Methyltransferase]]~~	+
-	~~[[Category: Viral protein-inhibitor complex~~]]	+

OCA at 16:00, 11 December 2019

2019-12-11T16:00:39Z

←Older revision		Revision as of 16:00, 11 December 2019
Line 1:		Line 1:

	==Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase==		==Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase==
-	<StructureSection load='5cuq' size='340' side='right' caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='5cuq' size='340' side='right'caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>
Line 16:		Line 16:
	</div>		</div>
	<div class="pdbe-citations 5cuq" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5cuq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nonstructural protein 3D structures\|Nonstructural protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 21:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Dengue virus 3]]		[[Category: Dengue virus 3]]
		+	[[Category: Large Structures]]
	[[Category: Banavali, N K]]		[[Category: Banavali, N K]]
	[[Category: Brecher, B]]		[[Category: Brecher, B]]

OCA at 12:29, 6 November 2017

2017-11-06T12:29:15Z

←Older revision		Revision as of 12:29, 6 November 2017
Line 1:		Line 1:
		+
	==Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase==		==Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase==
	<StructureSection load='5cuq' size='340' side='right' caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='5cuq' size='340' side='right' caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Dengue_virus_3 Dengue virus 3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [http://pdbe.org/5cuq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [http://www.ebi.ac.uk/pdbsum/5cuq 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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [http://pdbe.org/5cuq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [http://www.ebi.ac.uk/pdbsum/5cuq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5cuq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 19:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Dengue virus 3]]
	[[Category: Banavali, N K]]		[[Category: Banavali, N K]]
	[[Category: Brecher, B]]		[[Category: Brecher, B]]

OCA at 15:45, 3 February 2016

2016-02-03T15:45:21Z

←Older revision		Revision as of 15:45, 3 February 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase==
		+	<StructureSection load='5cuq' size='340' side='right' caption='[[5cuq]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5cuq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CUQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CUQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NSC:N,N-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA'>NSC</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=5cuq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cuq OCA], [http://pdbe.org/5cuq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cuq RCSB], [http://www.ebi.ac.uk/pdbsum/5cuq PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Flavivirus methyltransferase (MTase) is essential for viral replication. Here we report the identification of small molecules through virtual screening that putatively bind to the SAM-binding site of flavivirus MTase and inhibit its function. Six of these computationally predicted binders were identified to show significant MTase inhibition with low micromolar inhibitory activity. The most active compounds showed broad-spectrum activity against the MTase proteins of other flaviviruses. Two of these compounds also showed low cytotoxicity and high antiviral efficacy in cell-based assays. Competitive binding analyses indicated that the inhibitors performed their inhibitory function through competitive binding to the SAM cofactor binding site of the MTase. The crystal structure of the MTase-inhibitor complex further supports the mode of action and provides routes for their further optimization as flavivirus MTase inhibitors.

-	~~The entry 5cuq is ON HOLD until~~ Jul ~~24 2017~~	+	Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.,Brecher M, Chen H, Li Z, Banavali NK, Jones SA, Zhang J, Kramer LD, Li H ACS Infect Dis. 2015;1(8):340-349. Epub 2015 Jul 27. PMID:26726314<ref>PMID:26726314</ref>

-	~~Authors: Brechera~~, B.~~, Chena, H., Li, Z., Banavali, N.K., Jones,~~ S.~~A., Zhang, J., Kramer, L.D., Li, H.M~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase~~	+	<div class="pdbe-citations 5cuq" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
-	[[Category: ~~Chena~~, H]]	+	<references/>
-	[[Category: Li, H.M]]	+	__TOC__
-	[[Category: ~~Brechera~~, B]]	+	</StructureSection>
-	[[Category: ~~Banavali~~, ~~N.K~~]]	+	[[Category: Banavali, N K]]
		+	[[Category: Brecher, B]]
		+	[[Category: Chen, H]]
		+	[[Category: Jones, S A]]
		+	[[Category: Kramer, L D]]
		+	[[Category: Li, H M]]
	[[Category: Li, Z]]		[[Category: Li, Z]]
-	[[Category: Jones, S.A]]
	[[Category: Zhang, J]]		[[Category: Zhang, J]]
-	[[Category: ~~Kramer, L.D~~]]	+	[[Category: Complex]]
		+	[[Category: Dengue virus]]
		+	[[Category: Inhibitor]]
		+	[[Category: Methyltransferase]]
		+	[[Category: Viral protein-inhibitor complex]]

OCA at 10:44, 16 December 2015

2015-12-16T10:44:03Z

←Older revision		Revision as of 10:44, 16 December 2015
Line 7:		Line 7:
	Description: Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase		Description: Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Chena, H]]
	[[Category: Li, H.M]]		[[Category: Li, H.M]]
		+	[[Category: Brechera, B]]
	[[Category: Banavali, N.K]]		[[Category: Banavali, N.K]]
		+	[[Category: Li, Z]]
	[[Category: Jones, S.A]]		[[Category: Jones, S.A]]
	[[Category: Zhang, J]]		[[Category: Zhang, J]]
-	[[Category: Chena, H]]
-	[[Category: Brechera, B]]
-	[[Category: Li, Z]]
	[[Category: Kramer, L.D]]		[[Category: Kramer, L.D]]

OCA at 01:46, 16 October 2015

2015-10-16T01:46:55Z

←Older revision		Revision as of 01:46, 16 October 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5cuq is ON HOLD	+	The entry 5cuq is ON HOLD until Jul 24 2017

	Authors: Brechera, B., Chena, H., Li, Z., Banavali, N.K., Jones, S.A., Zhang, J., Kramer, L.D., Li, H.M.		Authors: Brechera, B., Chena, H., Li, Z., Banavali, N.K., Jones, S.A., Zhang, J., Kramer, L.D., Li, H.M.

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

2015-08-05T18:58:25Z

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

←Older revision

Revision as of 18:58, 5 August 2015

OCA: New page: '''Unreleased structure''' The entry 5cuq is ON HOLD Authors: Brechera, B., Chena, H., Li, Z., Banavali, N.K., Jones, S.A., Zhang, J., Kramer, L.D., Li, H.M. Description: Identificatio...

2015-08-05T18:58:23Z

New page: '''Unreleased structure''' The entry 5cuq is ON HOLD Authors: Brechera, B., Chena, H., Li, Z., Banavali, N.K., Jones, S.A., Zhang, J., Kramer, L.D., Li, H.M. Description: Identificatio...

New page

'''Unreleased structure'''

The entry 5cuq is ON HOLD

Authors: Brechera, B., Chena, H., Li, Z., Banavali, N.K., Jones, S.A., Zhang, J., Kramer, L.D., Li, H.M.

Description: Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
[[Category: Unreleased Structures]]
[[Category: Li, H.M]]
[[Category: Banavali, N.K]]
[[Category: Jones, S.A]]
[[Category: Zhang, J]]
[[Category: Chena, H]]
[[Category: Brechera, B]]
[[Category: Li, Z]]
[[Category: Kramer, L.D]]