4ddl

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[[Image:4ddl.jpg|left|200px]]
 
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==PDE10a Crystal Structure Complexed with Novel Inhibitor==
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The line below this paragraph, containing "STRUCTURE_4ddl", creates the "Structure Box" on the page.
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<StructureSection load='4ddl' size='340' side='right'caption='[[4ddl]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[4ddl]] 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=4DDL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DDL 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]] 2.07&#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=0JQ:2-{1-[5-(6,7-DIMETHOXYCINNOLIN-4-YL)-3-METHYLPYRIDIN-2-YL]PIPERIDIN-4-YL}PROPAN-2-OL'>0JQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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{{STRUCTURE_4ddl| PDB=4ddl | SCENE= }}
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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=4ddl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ddl OCA], [https://pdbe.org/4ddl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ddl RCSB], [https://www.ebi.ac.uk/pdbsum/4ddl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ddl ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We report the discovery of 6,7-dimethoxy-4-(pyridin-3-yl)cinnolines as novel inhibitors of phosphodiesterase 10A (PDE10A). Systematic examination and analyses of structure-activity-relationships resulted in single digit nM potency against PDE10A. X-ray co-crystal structure revealed the mode of binding in the enzyme's catalytic domain and the source of selectivity against other PDEs. High in vivo clearance in rats was addressed with the help of metabolite identification (ID) studies. These findings combined resulted in compound 39, a promising potent inhibitor of PDE10A with good in vivo metabolic stability in rats and efficacy in a rodent behavioral model.
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===PDE10a Crystal Structure Complexed with Novel Inhibitor===
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Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.,Hu E, Kunz RK, Rumfelt S, Chen N, Burli R, Li C, Andrews KL, Zhang J, Chmait S, Kogan J, Lindstrom M, Hitchcock SA, Treanor J Bioorg Med Chem Lett. 2012 Mar 15;22(6):2262-5. Epub 2012 Feb 8. PMID:22365755<ref>PMID:22365755</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4ddl" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_22365755}}, adds the Publication Abstract to the page
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 22365755 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_22365755}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[4ddl]] 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=4DDL OCA].
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==Reference==
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<ref group="xtra">PMID:022365755</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Chmait, S.]]
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[[Category: Large Structures]]
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[[Category: Jordan, S.]]
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[[Category: Chmait S]]
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[[Category: Zhang, J.]]
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[[Category: Jordan S]]
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[[Category: Hydrolase]]
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[[Category: Zhang J]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Phosphodiesterase 10a]]
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Current revision

PDE10a Crystal Structure Complexed with Novel Inhibitor

PDB ID 4ddl

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OCA

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