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3ua9

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[[Image:3ua9.png|left|200px]]
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==Crystal structure of human tankyrase 2 in complex with a selective inhibitor==
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<StructureSection load='3ua9' size='340' side='right' caption='[[3ua9]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3ua9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UA9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UA9 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IWR:4-[(3AR,4S,7R,7AS)-1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO-2H-4,7-METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL)BENZAMIDE'>IWR</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3u9h|3u9h]], [[3u9y|3u9y]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TNKS2, PARP5B, TANK2, TNKL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ua9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ua9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ua9 RCSB], [http://www.ebi.ac.uk/pdbsum/3ua9 PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Tankyrases are poly(ADP-ribose) polymerases that have many cellular functions. They play pharmaceutically important roles, at least in telomere homeostasis and Wnt signaling, by covalently ADP-ribosylating target proteins and consequently regulating their functions. These features make tankyrases potential targets for treatment of cancer. We report here crystal structures of human tankyrase 2 catalytic fragment in complex with a by-product, nicotinamide and with selective inhibitors of tankyrases (IWR-1) and PARPs 1 and 2 (olaparib). Binding of these inhibitors to tankyrase 2 induce specific conformational changes. The crystal structures explain the selectivity of the inhibitors, reveal the flexibility of a substrate binding loop and explain existing structure-activity relationship data. The first crystal structure of a PARP enzyme in complex with a potent inhibitor, IWR-1, which does not bind to the widely-utilized nicotinamide-binding site makes the structure valuable also for development of PARP inhibitors in general.
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Structural Basis of Selective Inhibition of Human Tankyrases.,Narwal M, Venkannagari H, Lehtio L J Med Chem. 2012 Jan 10. PMID:22233320<ref>PMID:22233320</ref>
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The line below this paragraph, containing "STRUCTURE_3ua9", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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{{STRUCTURE_3ua9| PDB=3ua9 | SCENE= }}
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===Crystal structure of human tankyrase 2 in complex with a selective inhibitor===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
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<!--
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*[[Poly (ADP-ribose) polymerase|Poly (ADP-ribose) polymerase]]
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The line below this paragraph, {{ABSTRACT_PUBMED_22233320}}, adds the Publication Abstract to the page
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== References ==
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(as it appears on PubMed at http://www.pubmed.gov), where 22233320 is the PubMed ID number.
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<references/>
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__TOC__
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{{ABSTRACT_PUBMED_22233320}}
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</StructureSection>
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==About this Structure==
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[[3ua9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UA9 OCA].
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==Reference==
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<ref group="xtra">PMID:022233320</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Lehtio, L.]]
[[Category: Lehtio, L.]]

Revision as of 05:58, 5 June 2014

Crystal structure of human tankyrase 2 in complex with a selective inhibitor

3ua9, resolution 2.15Å

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