5awd - Revision history

OCA at 06:27, 31 May 2023

2023-05-31T06:27:56Z

←Older revision		Revision as of 06:27, 31 May 2023
Line 3:		Line 3:
	<StructureSection load='5awd' size='340' side='right'caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>		<StructureSection load='5awd' size='340' side='right'caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5AWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5AWD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IDQ:1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5-C]QUINOLIN-4-AMINE'>IDQ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IDQ:1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5-C]QUINOLIN-4-AMINE'>IDQ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5awa\|5awa]], [[5awb\|5awb]], [[5awc\|5awc]]</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=5awd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5awd OCA], [https://pdbe.org/5awd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5awd RCSB], [https://www.ebi.ac.uk/pdbsum/5awd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5awd ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TLR8 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=5awd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5awd OCA], [~~http~~://pdbe.org/5awd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5awd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5awd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5awd ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/TLR8_HUMAN TLR8_HUMAN]] Key component of innate and adaptive immunity. TLRs (Toll-like receptors) control host immune response against pathogens through recognition of molecular patterns specific to microorganisms. Acts via MYD88 and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response.<ref>PMID:17932028</ref>	+	[https://www.uniprot.org/uniprot/TLR8_HUMAN TLR8_HUMAN] Key component of innate and adaptive immunity. TLRs (Toll-like receptors) control host immune response against pathogens through recognition of molecular patterns specific to microorganisms. Acts via MYD88 and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response.<ref>PMID:17932028</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 20:

	==See Also==		==See Also==
-	*[[Toll-like ~~Receptors~~\|Toll-like ~~Receptors~~]]	+	*[[Toll-like Receptor 3D structures\|Toll-like Receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ohto, U]]	+	[[Category: Ohto U]]
-	[[Category: Shimizu, T]]	+	[[Category: Shimizu T]]
-	[[Category: Tanji, H]]	+	[[Category: Tanji H]]
-	~~[[Category: Adjuvant]]~~	+
-	~~[[Category: Glycosylation]]~~	+
-	~~[[Category: Immune system]]~~	+
-	~~[[Category: Linnate immunity]]~~	+
-	~~[[Category: Tlr8]]~~	+
-	~~[[Category: Vaccine adjuvant~~]]	+

OCA at 09:53, 26 February 2020

2020-02-26T09:53:14Z

←Older revision		Revision as of 09:53, 26 February 2020
Line 1:		Line 1:

	==Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)==		==Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)==
-	<StructureSection load='5awd' size='340' side='right' caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>	+	<StructureSection load='5awd' size='340' side='right'caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AWD FirstGlance]. <br>		<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AWD FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5awd" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5awd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Toll-like Receptors\|Toll-like Receptors]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Ohto, U]]		[[Category: Ohto, U]]
	[[Category: Shimizu, T]]		[[Category: Shimizu, T]]

OCA at 15:40, 16 November 2017

2017-11-16T15:40:01Z

←Older revision		Revision as of 15:40, 16 November 2017
Line 1:		Line 1:
		+
	==Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)==		==Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)==
	<StructureSection load='5awd' size='340' side='right' caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>		<StructureSection load='5awd' size='340' side='right' caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AWD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IDQ:1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5-C]QUINOLIN-4-AMINE'>IDQ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IDQ:1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5-C]QUINOLIN-4-AMINE'>IDQ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5awa\|5awa]], [[5awb\|5awb]], [[5awc\|5awc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5awa\|5awa]], [[5awb\|5awb]], [[5awc\|5awc]]</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=5awd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5awd OCA], [http://pdbe.org/5awd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5awd RCSB], [http://www.ebi.ac.uk/pdbsum/5awd PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TLR8 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=5awd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5awd OCA], [http://pdbe.org/5awd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5awd RCSB], [http://www.ebi.ac.uk/pdbsum/5awd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5awd ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Ohto, U]]		[[Category: Ohto, U]]
	[[Category: Shimizu, T]]		[[Category: Shimizu, T]]

OCA at 23:45, 21 October 2015

2015-10-21T23:45:27Z

←Older revision		Revision as of 23:45, 21 October 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)==
		+	<StructureSection load='5awd' size='340' side='right' caption='[[5awd]], [[Resolution\|resolution]] 2.05Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5awd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AWD FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IDQ:1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5-C]QUINOLIN-4-AMINE'>IDQ</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5awa\|5awa]], [[5awb\|5awb]], [[5awc\|5awc]]</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=5awd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5awd OCA], [http://pdbe.org/5awd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5awd RCSB], [http://www.ebi.ac.uk/pdbsum/5awd PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/TLR8_HUMAN TLR8_HUMAN]] Key component of innate and adaptive immunity. TLRs (Toll-like receptors) control host immune response against pathogens through recognition of molecular patterns specific to microorganisms. Acts via MYD88 and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response.<ref>PMID:17932028</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Human Toll-like receptor 8 (hTLR8) is expressed in myeloid dendritic cells, monocytes, and monocyte-derived dendritic cells. Engagement by TLR8 agonists evokes a distinct cytokine profile which favors the development of type 1 helper T cells. Crystal structures of the ectodomain of hTLR8 cocrystallized with two regioisomers of a dual TLR7/8-agonistic N1-substituted imidazoquinolines showed subtle differences in their interactions in the binding site of hTLR8. We hypothesized that the potency of a previously reported best-in-class pure TLR8 agonist, 3-pentylquinoline-2-amine, could be further enhanced by "designing in" functional groups that would mimic key intermolecular interactions that we had observed in the crystal structures. We performed a focused exploration of decorating the quinoline core with alkylamino groups at all possible positions. These studies have led to the identification of a novel TLR8 agonist that was approximately 20-fold more potent than the parent compound and displays prominent adjuvantic activity in a rabbit model of immunization.

-	~~The entry 5awd is ON HOLD until Paper Publication~~	+	Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity.,Beesu M, Caruso G, Salyer AC, Khetani KK, Sil D, Weerasinghe M, Tanji H, Ohto U, Shimizu T, David SA J Med Chem. 2015 Oct 8;58(19):7833-49. doi: 10.1021/acs.jmedchem.5b01087. Epub, 2015 Sep 22. PMID:26351878<ref>PMID:26351878</ref>

-	~~Authors: Tanji, H., Ohto~~, U.~~, Shimizu, T~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human TLR8 in complex with IMDQ~~	+	<div class="pdbe-citations 5awd" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Ohto, U]]
		+	[[Category: Shimizu, T]]
	[[Category: Tanji, H]]		[[Category: Tanji, H]]
-	[[Category: ~~Shimizu, T~~]]	+	[[Category: Adjuvant]]
-	[[Category: ~~Ohto, U~~]]	+	[[Category: Glycosylation]]
		+	[[Category: Immune system]]
		+	[[Category: Linnate immunity]]
		+	[[Category: Tlr8]]
		+	[[Category: Vaccine adjuvant]]

OCA at 08:29, 9 September 2015

2015-09-09T08:29:53Z

←Older revision		Revision as of 08:29, 9 September 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5awd is ON HOLD	+	The entry 5awd is ON HOLD until Paper Publication

	Authors: Tanji, H., Ohto, U., Shimizu, T.		Authors: Tanji, H., Ohto, U., Shimizu, T.

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

2015-07-15T11:43:03Z

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

←Older revision

Revision as of 11:43, 15 July 2015

OCA: New page: '''Unreleased structure''' The entry 5awd is ON HOLD Authors: Tanji, H., Ohto, U., Shimizu, T. Description: Crystal structure of human TLR8 in complex with IMDQ [[Category: Unreleased ...

2015-07-15T11:43:01Z

New page: '''Unreleased structure''' The entry 5awd is ON HOLD Authors: Tanji, H., Ohto, U., Shimizu, T. Description: Crystal structure of human TLR8 in complex with IMDQ [[Category: Unreleased ...

New page

'''Unreleased structure'''

The entry 5awd is ON HOLD

Authors: Tanji, H., Ohto, U., Shimizu, T.

Description: Crystal structure of human TLR8 in complex with IMDQ
[[Category: Unreleased Structures]]
[[Category: Tanji, H]]
[[Category: Shimizu, T]]
[[Category: Ohto, U]]