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3whw

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{{STRUCTURE_3whw| PDB=3whw | SCENE= }}
 
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===MTH1 in complex with Ruthenium-based inhibitor===
 
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{{ABSTRACT_PUBMED_24258965}}
 
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==Function==
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==MTH1 in complex with Ruthenium-based inhibitor==
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[[http://www.uniprot.org/uniprot/8ODP_HUMAN 8ODP_HUMAN]] Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.<ref>PMID:10373420</ref> <ref>PMID:10608900</ref> <ref>PMID:11139615</ref> <ref>PMID:12857738</ref> <ref>PMID:22556419</ref>
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<StructureSection load='3whw' size='340' side='right'caption='[[3whw]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3whw]] 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=3WHW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WHW FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.701&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RUX:[4-AMINO-2-METHYL-6-(PYRIDIN-2-YL-KAPPAN)QUINAZOLIN-7-YL-KAPPAC~7~](CARBONYL){1-[(2,6-DIMETHOXYPHENOXY)CARBONYL]CYCLOPENTA-2,4-DIEN-1-YL}RUTHENIUM'>RUX</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3whw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3whw OCA], [https://pdbe.org/3whw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3whw RCSB], [https://www.ebi.ac.uk/pdbsum/3whw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3whw ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/8ODP_HUMAN 8ODP_HUMAN] Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.<ref>PMID:10373420</ref> <ref>PMID:10608900</ref> <ref>PMID:11139615</ref> <ref>PMID:12857738</ref> <ref>PMID:22556419</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The probe-based discovery of the first small-molecule inhibitor of the repair enzyme 8-oxo-dGTPase (MTH1) is presented, which is an unconventional cyclometalated ruthenium half-sandwich complex. The organometallic inhibitor with low-nanomolar activity displays astonishing specificity, as verified in tests with an extended panel of protein kinases and other ATP binding proteins. The binding of the organometallic inhibitor to MTH1 is investigated by protein crystallography.
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==About this Structure==
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An organometallic inhibitor for the human repair enzyme 7,8-dihydro-8-oxoguanosine triphosphatase.,Streib M, Kraling K, Richter K, Xie X, Steuber H, Meggers E Angew Chem Int Ed Engl. 2014 Jan 3;53(1):305-9. doi: 10.1002/anie.201307849. Epub, 2013 Nov 20. PMID:24258965<ref>PMID:24258965</ref>
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[[3whw]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WHW OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:024258965</ref><references group="xtra"/><references/>
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</div>
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[[Category: Kraeling, K.]]
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<div class="pdbe-citations 3whw" style="background-color:#fffaf0;"></div>
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[[Category: Meggers, E.]]
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[[Category: Richter, K.]]
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==See Also==
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[[Category: Steuber, H.]]
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*[[7%2C8-dihydro-8-oxoguanine triphosphatase 3D structures|7%2C8-dihydro-8-oxoguanine triphosphatase 3D structures]]
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[[Category: Streib, M.]]
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== References ==
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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<references/>
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[[Category: Mth1]]
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__TOC__
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[[Category: Organometallic inhibitor]]
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Kraeling K]]
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[[Category: Meggers E]]
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[[Category: Richter K]]
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[[Category: Steuber H]]
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[[Category: Streib M]]

Current revision

MTH1 in complex with Ruthenium-based inhibitor

PDB ID 3whw

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