3wi2: Difference between revisions

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-{{STRUCTURE_3wi2|  PDB=3wi2  |  SCENE=  }}
-===Crystal structure of PDE10A in complex with inhibitor===
-{{ABSTRACT_PUBMED_24238902}}
-==Function==
+==Crystal structure of PDE10A in complex with inhibitor==
-[[http://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>
+<StructureSection load='3wi2' size='340' side='right'caption='[[3wi2]], [[Resolution|resolution]] 2.26&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3wi2]] 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=3WI2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WI2 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.26&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=P98:2-({[1-PHENYL-2-(PROPAN-2-YL)-1H-BENZIMIDAZOL-6-YL]OXY}METHYL)QUINOLINE'>P98</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=3wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wi2 OCA], [https://pdbe.org/3wi2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wi2 RCSB], [https://www.ebi.ac.uk/pdbsum/3wi2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wi2 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[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>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A novel class of phosphodiesterase 10A (PDE10A) inhibitors with reduced CYP1A2 inhibition were designed and synthesized starting from 2-{[(1-phenyl-1H-benzimidazol-6-yl)oxy]methyl}quinoline (1). Introduction of an isopropyl group at the 2-position and a methoxy group at the 5-position of the benzimidazole ring of lead compound 1 resulted in the identification of 2-{[(2-isopropyl-5-methoxy-1-phenyl-1H-benzimidazol-6-yl)oxy]methyl}quinoline (25b), which exhibited potent PDE10A inhibitory activity with reduced CYP1A2 inhibitory activity compared to compound 1.
-==About this Structure==
+Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition.,Hamaguchi W, Masuda N, Isomura M, Miyamoto S, Kikuchi S, Amano Y, Honbou K, Mihara T, Watanabe T Bioorg Med Chem. 2013 Dec 15;21(24):7612-23. doi: 10.1016/j.bmc.2013.10.035. Epub, 2013 Oct 31. PMID:24238902<ref>PMID:24238902</ref>
-[[3wi2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WI2 OCA].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<ref group="xtra">PMID:024238902</ref><references group="xtra"/><references/>
+</div>
-[[Category: Amano, Y.]]
+<div class="pdbe-citations 3wi2" style="background-color:#fffaf0;"></div>
-[[Category: Cgmp binding]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
+==See Also==
-[[Category: Phosphodiesterase]]
+*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Amano Y]]