5adr - Revision history

OCA at 11:39, 9 May 2024

OCA — Thu, 09 May 2024 11:39:51 GMT

←Older revision		Revision as of 11:39, 9 May 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5adr]] 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=5ADR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ADR FirstGlance]. <br>		<table><tr><td colspan='2'>[[5adr]] 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=5ADR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ADR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 2.1Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [https://pdbe.org/5adr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [https://www.ebi.ac.uk/pdbsum/5adr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5adr 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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [https://pdbe.org/5adr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [https://www.ebi.ac.uk/pdbsum/5adr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5adr ProSAT]</span></td></tr>
	</table>		</table>

OCA at 04:52, 25 May 2023

OCA — Thu, 25 May 2023 04:52:43 GMT

←Older revision		Revision as of 04:52, 25 May 2023
Line 3:		Line 3:
	<StructureSection load='5adr' size='340' side='right'caption='[[5adr]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='5adr' size='340' side='right'caption='[[5adr]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5adr]] is a 2 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=5ADR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5ADR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5adr]] 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=5ADR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ADR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5adq\|5adq]], [[5ads\|5ads]], [[5adt\|5adt]]~~</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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [https://pdbe.org/5adr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [https://www.ebi.ac.uk/pdbsum/5adr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5adr ProSAT]</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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [~~http~~://pdbe.org/5adr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5adr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5adr ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/TNKS2_HUMAN TNKS2_HUMAN]] Poly-ADP-ribosyltransferase involved in various processes such as Wnt signaling pathway, telomere length and vesicle trafficking. Acts as an activator of the Wnt signaling pathway by mediating poly-ADP-ribosylation of AXIN1 and AXIN2, 2 key components of the beta-catenin destruction complex: poly-ADP-ribosylated target proteins are recognized by RNF146, which mediates their ubiquitination and subsequent degradation. Also mediates poly-ADP-ribosylation of BLZF1 and CASC3, followed by recruitment of RNF146 and subsequent ubiquitination. Mediates poly-ADP-ribosylation of TERF1, thereby contributing to the regulation of telomere length. May also regulate vesicle trafficking and modulate the subcellular distribution of SLC2A4/GLUT4-vesicles.<ref>PMID:11802774</ref> <ref>PMID:11739745</ref> <ref>PMID:19759537</ref> <ref>PMID:21478859</ref>	+	[https://www.uniprot.org/uniprot/TNKS2_HUMAN TNKS2_HUMAN] Poly-ADP-ribosyltransferase involved in various processes such as Wnt signaling pathway, telomere length and vesicle trafficking. Acts as an activator of the Wnt signaling pathway by mediating poly-ADP-ribosylation of AXIN1 and AXIN2, 2 key components of the beta-catenin destruction complex: poly-ADP-ribosylated target proteins are recognized by RNF146, which mediates their ubiquitination and subsequent degradation. Also mediates poly-ADP-ribosylation of BLZF1 and CASC3, followed by recruitment of RNF146 and subsequent ubiquitination. Mediates poly-ADP-ribosylation of TERF1, thereby contributing to the regulation of telomere length. May also regulate vesicle trafficking and modulate the subcellular distribution of SLC2A4/GLUT4-vesicles.<ref>PMID:11802774</ref> <ref>PMID:11739745</ref> <ref>PMID:19759537</ref> <ref>PMID:21478859</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 20:

	==See Also==		==See Also==
-	*[[Poly (ADP-ribose) polymerase\|Poly (ADP-ribose) polymerase]]	+	*[[Poly(ADP-ribose) polymerase 3D structures\|Poly(ADP-ribose) polymerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Haikarainen, T]]	+	[[Category: Haikarainen T]]
-	[[Category: Lehtio, L]]	+	[[Category: Lehtio L]]
-	~~[[Category: Adp- ribosylation]]~~	+
-	~~[[Category: Diphtheria toxin like fold]]~~	+
-	~~[[Category: Protein-ligand complex]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 07:51, 3 July 2019

OCA — Wed, 03 Jul 2019 07:51:33 GMT

←Older revision		Revision as of 07:51, 3 July 2019
Line 1:		Line 1:
		+
	==Crystal structure of human tankyrase 2 in complex with OD38==		==Crystal structure of human tankyrase 2 in complex with OD38==
-	<StructureSection load='5adr' size='340' side='right' caption='[[5adr]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='5adr' size='340' side='right'caption='[[5adr]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5adr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ADR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ADR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5adr]] is a 2 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=5ADR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ADR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5adq\|5adq]], [[5ads\|5ads]], [[5adt\|5adt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5adq\|5adq]], [[5ads\|5ads]], [[5adt\|5adt]]</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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [http://pdbe.org/5adr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [http://www.ebi.ac.uk/pdbsum/5adr 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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [http://pdbe.org/5adr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [http://www.ebi.ac.uk/pdbsum/5adr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5adr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5adr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5adr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Poly (ADP-ribose) polymerase\|Poly (ADP-ribose) polymerase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Haikarainen, T]]		[[Category: Haikarainen, T]]
	[[Category: Lehtio, L]]		[[Category: Lehtio, L]]

OCA at 20:10, 13 January 2016

OCA — Wed, 13 Jan 2016 20:10:14 GMT

←Older revision		Revision as of 20:10, 13 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human tankyrase 2 in complex with OD38==
		+	<StructureSection load='5adr' size='340' side='right' caption='[[5adr]], [[Resolution\|resolution]] 2.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5adr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ADR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ADR FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=QS5:N-(4-(((4-(4-METHOXYPHENYL)OXAN-4-+YL)METHYL)CARBAMOYL)PHENYL)-5-METHYLFURAN-2-CARBOXAMIDE'>QS5</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5adq\|5adq]], [[5ads\|5ads]], [[5adt\|5adt]]</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=5adr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5adr OCA], [http://pdbe.org/5adr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5adr RCSB], [http://www.ebi.ac.uk/pdbsum/5adr PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/TNKS2_HUMAN TNKS2_HUMAN]] Poly-ADP-ribosyltransferase involved in various processes such as Wnt signaling pathway, telomere length and vesicle trafficking. Acts as an activator of the Wnt signaling pathway by mediating poly-ADP-ribosylation of AXIN1 and AXIN2, 2 key components of the beta-catenin destruction complex: poly-ADP-ribosylated target proteins are recognized by RNF146, which mediates their ubiquitination and subsequent degradation. Also mediates poly-ADP-ribosylation of BLZF1 and CASC3, followed by recruitment of RNF146 and subsequent ubiquitination. Mediates poly-ADP-ribosylation of TERF1, thereby contributing to the regulation of telomere length. May also regulate vesicle trafficking and modulate the subcellular distribution of SLC2A4/GLUT4-vesicles.<ref>PMID:11802774</ref> <ref>PMID:11739745</ref> <ref>PMID:19759537</ref> <ref>PMID:21478859</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Tankyrases 1 and 2, the specialized members of the ARTD protein family, are druggable biotargets whose inhibition may have therapeutic potential against cancer, metabolic disease, fibrotic disease, fibrotic wound healing and HSV viral infections. We have previously identified a novel tankyrase inhibitor scaffold, JW55, and showed that it reduces mouse colon adenoma formation in vivo. Here we expanded the scaffold and profiled the selectivity of the compounds against a panel of human ARTDs. The scaffold also enables a fine modulation of selectivity towards either tankyrase 1 or tankyrase 2. In order to get insight about the binding mode of the inhibitors, we solved crystal structures of the compounds in complex with tankyrase 2. The compounds bind to the adenosine pocket of the catalytic domain and cause changes in the protein structure that are modulated by the chemical modifications of the compounds. The structural analysis allows further rational development of this compound class as a potent and selective tankyrase inhibitor.

-	~~The entry 5adr is ON HOLD until Paper Publication~~	+	Development and structural analysis of adenosine site binding tankyrase inhibitors.,Haikarainen T, Waaler J, Ignatev A, Nkizinkiko Y, Venkannagari H, Obaji E, Krauss S, Lehtio L Bioorg Med Chem Lett. 2016 Jan 15;26(2):328-33. doi: 10.1016/j.bmcl.2015.12.018. , Epub 2015 Dec 8. PMID:26706174<ref>PMID:26706174</ref>

-	~~Authors: Haikarainen~~, T.~~, Lehtio, L~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human tankyrase 2 in complex with OD38~~	+	<div class="pdbe-citations 5adr" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Haikarainen, T]]
	[[Category: Lehtio, L]]		[[Category: Lehtio, L]]
-	[[Category: ~~Haikarainen, T~~]]	+	[[Category: Adp- ribosylation]]
		+	[[Category: Diphtheria toxin like fold]]
		+	[[Category: Protein-ligand complex]]
		+	[[Category: Transferase]]
		+	[[Category: Transferase-transferase inhibitor complex]]

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

OCA — Wed, 02 Sep 2015 09:48:22 GMT

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

←Older revision

Revision as of 09:48, 2 September 2015

OCA: New page: '''Unreleased structure''' The entry 5adr is ON HOLD until Paper Publication Authors: Haikarainen, T., Lehtio, L. Description: Crystal structure of human tankyrase 2 in complex with OD...

OCA — Wed, 02 Sep 2015 09:48:20 GMT

New page: '''Unreleased structure''' The entry 5adr is ON HOLD until Paper Publication Authors: Haikarainen, T., Lehtio, L. Description: Crystal structure of human tankyrase 2 in complex with OD...

New page

'''Unreleased structure'''

The entry 5adr is ON HOLD until Paper Publication

Authors: Haikarainen, T., Lehtio, L.

Description: Crystal structure of human tankyrase 2 in complex with OD38
[[Category: Unreleased Structures]]
[[Category: Lehtio, L]]
[[Category: Haikarainen, T]]