7oqq - Revision history

OCA at 12:54, 1 February 2024

OCA — Thu, 01 Feb 2024 12:54:45 GMT

←Older revision		Revision as of 12:54, 1 February 2024
Line 1:		Line 1:

	==PARP15 catalytic domain in complex with TIQ-A==		==PARP15 catalytic domain in complex with TIQ-A==
-	<StructureSection load='7oqq' size='340' side='right'caption='[[7oqq]]' scene=''>	+	<StructureSection load='7oqq' size='340' side='right'caption='[[7oqq]], [[Resolution\|resolution]] 2.00Å' 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=7OQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OQQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7oqq]] 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=7OQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OQQ 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=7oqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7oqq OCA], [https://pdbe.org/7oqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7oqq RCSB], [https://www.ebi.ac.uk/pdbsum/7oqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7oqq 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]] 2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=G18:4H-THIENO[2,3-C]ISOQUINOLIN-5-ONE'>G18</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=7oqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7oqq OCA], [https://pdbe.org/7oqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7oqq RCSB], [https://www.ebi.ac.uk/pdbsum/7oqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7oqq ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/PAR15_HUMAN PAR15_HUMAN] Transcriptional repressor. Has ADP-ribosyltransferase activity.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The scaffold of TIQ-A, a previously known inhibitor of human poly-ADP-ribosyltransferase PARP1, was utilized to develop inhibitors against human mono-ADP-ribosyltransferases through structure-guided design and activity profiling. By supplementing the TIQ-A scaffold with small structural changes, based on a PARP10 inhibitor OUL35, selectivity changed from poly-ADP-ribosyltransferases towards mono-ADP-ribosyltransferases. Binding modes of analogs were experimentally verified by determining complex crystal structures with mono-ADP-ribosyltransferase PARP15 and with poly-ADP-ribosyltransferase TNKS2. The best analogs of the study achieved 10-20-fold selectivity towards mono-ADP-ribosyltransferases PARP10 and PARP15 while maintaining micromolar potencies. The work demonstrates a route to differentiate compound selectivity between mono- and poly-ribosyltransferases of the human ARTD family.
		+
		+	Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.,Maksimainen MM, Murthy S, Sowa ST, Galera-Prat A, Rolina E, Heiskanen JP, Lehtio L Bioorg Med Chem. 2021 Nov 10;52:116511. doi: 10.1016/j.bmc.2021.116511. PMID:34801828<ref>PMID:34801828</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7oqq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Poly(ADP-ribose) polymerase 3D structures\|Poly(ADP-ribose) polymerase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Lehtio L]]		[[Category: Lehtio L]]
	[[Category: Maksimainen MM]]		[[Category: Maksimainen MM]]

OCA at 09:56, 8 December 2021

OCA — Wed, 08 Dec 2021 09:56:34 GMT

←Older revision		Revision as of 09:56, 8 December 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7oqq ~~is ON HOLD until Paper Publication~~	+	==PARP15 catalytic domain in complex with TIQ-A==
-		+	<StructureSection load='7oqq' size='340' side='right'caption='[[7oqq]]' scene=''>
-	~~Authors~~: ~~Maksimainen~~, M.M., ~~Lehtio~~, L.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7OQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OQQ FirstGlance]. <br>
-	~~Description~~: ~~PARP15 catalytic domain in complex with TIQ~~-A	+	</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=7oqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7oqq OCA], [https://pdbe.org/7oqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7oqq RCSB], [https://www.ebi.ac.uk/pdbsum/7oqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7oqq ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Maksimainen, M.M~~]]	+	__TOC__
-	[[Category: ~~Lehtio, L~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Lehtio L]]
		+	[[Category: Maksimainen MM]]

OCA at 02:33, 2 July 2021

OCA — Fri, 02 Jul 2021 02:33:15 GMT

←Older revision		Revision as of 02:33, 2 July 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Maksimainen, M.M., Lehtio, L.		Authors: Maksimainen, M.M., Lehtio, L.

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

OCA — Wed, 09 Jun 2021 11:17:00 GMT

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

←Older revision

Revision as of 11:17, 9 June 2021

OCA: New page: '''Unreleased structure''' The entry 7oqq is ON HOLD Authors: Maksimainen, M.M., Lehtio, L. Description: PARP15 catalytic domain in complex with TIQ-A [[Category: Unreleased Structures...

OCA — Wed, 09 Jun 2021 11:16:59 GMT

New page: '''Unreleased structure''' The entry 7oqq is ON HOLD Authors: Maksimainen, M.M., Lehtio, L. Description: PARP15 catalytic domain in complex with TIQ-A [[Category: Unreleased Structures...

New page

'''Unreleased structure'''

The entry 7oqq is ON HOLD

Authors: Maksimainen, M.M., Lehtio, L.

Description: PARP15 catalytic domain in complex with TIQ-A
[[Category: Unreleased Structures]]
[[Category: Maksimainen, M.M]]
[[Category: Lehtio, L]]