7r53 - Revision history

OCA at 13:26, 1 February 2024

OCA — Thu, 01 Feb 2024 13:26:15 GMT

←Older revision		Revision as of 13:26, 1 February 2024
Line 3:		Line 3:
	<StructureSection load='7r53' size='340' side='right'caption='[[7r53]], [[Resolution\|resolution]] 3.12Å' scene=''>		<StructureSection load='7r53' size='340' side='right'caption='[[7r53]], [[Resolution\|resolution]] 3.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7r53]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R53 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7r53]] is a 2 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=7R53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R53 FirstGlance]. <br>
-	</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=I5N:5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine'>I5N</scene>, <scene name='pdbligand=~~NAG~~:~~N-ACETYL~~-D-~~GLUCOSAMINE~~'>~~NAG~~</scene>, <scene name='pdbligand=~~MAN~~:~~ALPHA~~-D-~~MANNOSE~~'>~~MAN~~</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]] 3.121Å</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=I5N:5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine'>I5N</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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=7r53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r53 OCA], [https://pdbe.org/7r53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r53 RCSB], [https://www.ebi.ac.uk/pdbsum/7r53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r53 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=7r53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r53 OCA], [https://pdbe.org/7r53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r53 RCSB], [https://www.ebi.ac.uk/pdbsum/7r53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r53 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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 25:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Faller, M]]	+	[[Category: Faller M]]
-	[[Category: Zink, F]]	+	[[Category: Zink F]]
-	~~[[Category: Immune system]]~~	+
-	~~[[Category: Tlr8]]~~	+
-	~~[[Category: Toll-like receptor~~]]	+

OCA at 13:07, 4 May 2022

OCA — Wed, 04 May 2022 13:07:12 GMT

←Older revision		Revision as of 13:07, 4 May 2022
Line 1:		Line 1:

	==Crystal structure of human TLR8 in complex with Compound 15==		==Crystal structure of human TLR8 in complex with Compound 15==
-	<StructureSection load='7r53' size='340' side='right'caption='[[7r53]]' scene=''>	+	<StructureSection load='7r53' size='340' side='right'caption='[[7r53]], [[Resolution\|resolution]] 3.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R53 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7r53]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R53 FirstGlance]. <br>
-	</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=7r53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r53 OCA], [https://pdbe.org/7r53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r53 RCSB], [https://www.ebi.ac.uk/pdbsum/7r53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r53 ProSAT]</span></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=I5N:5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine'>I5N</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</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=7r53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r53 OCA], [https://pdbe.org/7r53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r53 RCSB], [https://www.ebi.ac.uk/pdbsum/7r53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r53 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[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;">
		+	== Publication Abstract from PubMed ==
		+	Inappropriate activation of TLR7 and TLR8 is linked to several autoimmune diseases, such as lupus erythematosus. Here we report on the efficient structure-based optimization of the inhibition of TLR8, starting from a co-crystal structure of a small screening hit. Further optimization of the physicochemical properties for cellular potency and expansion of the structure-activity relationship for dual potency finally resulted in a highly potent TLR7/8 antagonist with demonstrated in vivo efficacy after oral dosing.
		+
		+	Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.,Betschart C, Faller M, Zink F, Hemmig R, Blank J, Vangrevelinghe E, Bourrel M, Glatthar R, Behnke D, Barker K, Heizmann A, Angst D, Nimsgern P, Jacquier S, Junt T, Zipfel G, Ruzzante G, Loetscher P, Limonta S, Hawtin S, Andre CB, Boulay T, Feifel R, Knoepfel T ACS Med Chem Lett. 2022 Mar 10;13(4):658-664. doi:, 10.1021/acsmedchemlett.1c00696. eCollection 2022 Apr 14. PMID:35450354<ref>PMID:35450354</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7r53" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Toll-like Receptor 3D structures\|Toll-like Receptor 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Faller M]]	+	[[Category: Faller, M]]
-	[[Category: Zink F]]	+	[[Category: Zink, F]]
		+	[[Category: Immune system]]
		+	[[Category: Tlr8]]
		+	[[Category: Toll-like receptor]]

OCA at 11:19, 23 March 2022

OCA — Wed, 23 Mar 2022 11:19:07 GMT

←Older revision		Revision as of 11:19, 23 March 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7r53 ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of human TLR8 in complex with Compound 15==
-		+	<StructureSection load='7r53' size='340' side='right'caption='[[7r53]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R53 FirstGlance]. <br>
-	~~Description~~:	+	</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=7r53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r53 OCA], [https://pdbe.org/7r53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r53 RCSB], [https://www.ebi.ac.uk/pdbsum/7r53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r53 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Faller M]]
		+	[[Category: Zink F]]

OCA at 06:27, 23 February 2022

OCA — Wed, 23 Feb 2022 06:27:09 GMT

←Older revision		Revision as of 06:27, 23 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7r53 is ON HOLD	+	The entry 7r53 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7r53" [edit=sysop:move=sysop]

OCA — Wed, 16 Feb 2022 09:04:16 GMT

Protected "7r53" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:04, 16 February 2022

OCA: New page: '''Unreleased structure''' The entry 7r53 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 16 Feb 2022 09:04:15 GMT

New page: '''Unreleased structure''' The entry 7r53 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7r53 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]