OCA at 13:03, 1 February 2024

OCA — Thu, 01 Feb 2024 13:03:14 GMT

←Older revision		Revision as of 13:03, 1 February 2024
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	==MALT1 in complex with compound 1==		==MALT1 in complex with compound 1==
-	<StructureSection load='7paw' size='340' side='right'caption='[[7paw]]' scene=''>	+	<StructureSection load='7paw' size='340' side='right'caption='[[7paw]], [[Resolution\|resolution]] 2.19Å' 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=7PAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PAW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7paw]] 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=7PAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PAW 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=7paw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7paw OCA], [https://pdbe.org/7paw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7paw RCSB], [https://www.ebi.ac.uk/pdbsum/7paw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7paw ProSAT]</span></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]] 2.19Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6IT:~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine'>6IT</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=7paw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7paw OCA], [https://pdbe.org/7paw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7paw RCSB], [https://www.ebi.ac.uk/pdbsum/7paw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7paw ProSAT]</span></td></tr>
	</table>		</table>
		+	== Disease ==
		+	[https://www.uniprot.org/uniprot/MALT1_HUMAN MALT1_HUMAN] Note=A chromosomal aberration involving MALT1 is recurrent in low-grade mucosa-associated lymphoid tissue (MALT lymphoma). Translocation t(11;18)(q21;q21) with BIRC2. This translocation is found in approximately 50% of cytogenetically abnormal low-grade MALT lymphoma.
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/MALT1_HUMAN MALT1_HUMAN] Enhances BCL10-induced activation of NF-kappa-B. Involved in nuclear export of BCL10. Binds to TRAF6, inducing TRAF6 oligomerization and activation of its ligase activity. Has ubiquitin ligase activity. MALT1-dependent BCL10 cleavage plays an important role in T-cell antigen receptor-induced integrin adhesion.<ref>PMID:11262391</ref> <ref>PMID:14695475</ref> <ref>PMID:18264101</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Inhibition of mucosa-associated lymphoid tissue lymphoma translocation protein-1 (MALT1) is a promising strategy to modulate NF-kappaB signaling, with the potential to treat B-cell lymphoma and autoimmune diseases. We describe the discovery and optimization of (1s,4s)-N,N'-diaryl cyclohexane-1,4-diamines, a novel series of allosteric MALT1 inhibitors, resulting in compound 8 with single digit micromolar cell potency. X-ray analysis confirms that this compound binds to an induced allosteric site in MALT1. Compound 8 is highly selective and has an excellent in vivo rat PK profile with low clearance and high oral bioavailability, making it a promising lead for further optimization.
		+
		+	Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.,Schiesser S, Hajek P, Pople HE, Kack H, Oster L, Cox RJ Eur J Med Chem. 2021 Oct 21;227:113925. doi: 10.1016/j.ejmech.2021.113925. PMID:34742013<ref>PMID:34742013</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7paw" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Kack H]]		[[Category: Kack H]]
	[[Category: Oster L]]		[[Category: Oster L]]

OCA at 13:38, 17 November 2021

OCA — Wed, 17 Nov 2021 13:38:57 GMT

←Older revision		Revision as of 13:38, 17 November 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7paw ~~is ON HOLD until Paper Publication~~	+	==MALT1 in complex with compound 1==
-		+	<StructureSection load='7paw' size='340' side='right'caption='[[7paw]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PAW 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=7paw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7paw OCA], [https://pdbe.org/7paw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7paw RCSB], [https://www.ebi.ac.uk/pdbsum/7paw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7paw ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Kack H]]
		+	[[Category: Oster L]]

OCA at 07:27, 8 September 2021

OCA — Wed, 08 Sep 2021 07:27:59 GMT

←Older revision		Revision as of 07:27, 8 September 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 04 Aug 2021 09:17:15 GMT

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

←Older revision

Revision as of 09:17, 4 August 2021

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

OCA — Wed, 04 Aug 2021 09:17:14 GMT

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

New page

'''Unreleased structure'''

The entry 7paw is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7paw - Revision history

OCA at 13:03, 1 February 2024

OCA at 13:38, 17 November 2021

OCA at 07:27, 8 September 2021

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

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