3wi2: Difference between revisions

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-{{STRUCTURE_3wi2|  PDB=3wi2  |  SCENE=  }}
+==Crystal structure of PDE10A in complex with inhibitor==
-===Crystal structure of PDE10A in complex with inhibitor===
+<StructureSection load='3wi2' size='340' side='right' caption='[[3wi2]], [[Resolution|resolution]] 2.26&Aring;' scene=''>
-{{ABSTRACT_PUBMED_24238902}}
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3wi2]] 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=3WI2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WI2 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=3wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wi2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wi2 RCSB], [http://www.ebi.ac.uk/pdbsum/3wi2 PDBsum]</span></td></tr>
+</table>
+<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.
-==Function==
+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>
-[[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>
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[3wi2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WI2 OCA].
+</div>
-==Reference==
+==See Also==
-<ref group="xtra">PMID:024238902</ref><references group="xtra"/><references/>
+*[[Phosphodiesterase|Phosphodiesterase]]
-[[Category: Amano, Y.]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Human]]
+[[Category: Amano, Y]]
 [[Category: Cgmp binding]]
 [[Category: Hydrolase-hydrolase inhibitor complex]]
 [[Category: Phosphodiesterase]]