3ui7: Difference between revisions

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 ==Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia==
-<StructureSection load='3ui7' size='340' side='right' caption='[[3ui7]], [[Resolution|resolution]] 2.28&Aring;' scene=''>
+<StructureSection load='3ui7' size='340' side='right'caption='[[3ui7]], [[Resolution|resolution]] 2.28&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3ui7]] 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=3UI7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UI7 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3ui7]] 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=3UI7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3UI7 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C1L:6-METHOXY-3,8-DIMETHYL-4-(MORPHOLIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]QUINOLINE'>C1L</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.28&#8491;</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 Homo sapiens])</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C1L:6-METHOXY-3,8-DIMETHYL-4-(MORPHOLIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]QUINOLINE'>C1L</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ui7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ui7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ui7 RCSB], [http://www.ebi.ac.uk/pdbsum/3ui7 PDBsum]</span></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=3ui7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ui7 OCA], [https://pdbe.org/3ui7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ui7 RCSB], [https://www.ebi.ac.uk/pdbsum/3ui7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ui7 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[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>
+[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 series of pyrazoloquinoline analogs have been synthesized and shown to bind to PDE10 with high affinity. From the SAR study and our lead optimization efforts, compounds 16 and 27 were found to possess potent oral antipsychotic activity in the MK-801 induced hyperactive rat model.
-Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.,Yang SW, Smotryski J, McElroy WT, Tan Z, Ho G, Tulshian D, Greenlee WJ, Guzzi M, Zhang X, Mullins D, Xiao L, Hruza A, Chan TM, Rindgen D, Bleickardt C, Hodgson R Bioorg Med Chem Lett. 2011 Nov 16. PMID:22142545<ref>PMID:22142545</ref>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
 ==See Also==
-*[[Phosphodiesterase|Phosphodiesterase]]
+*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
 == References ==
 <references/>
@@ Line 25: / Line 18: @@
 </StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Greenlee, W J]]
+[[Category: Large Structures]]
-[[Category: Ho, G]]
+[[Category: Greenlee WJ]]
-[[Category: Hodgson, R]]
+[[Category: Ho G]]
-[[Category: Hruza, A]]
+[[Category: Hodgson R]]
-[[Category: Mcelroy, W]]
+[[Category: Hruza A]]
-[[Category: Smotryski, J]]
+[[Category: Mcelroy W]]
-[[Category: Tulshian, D]]
+[[Category: Smotryski J]]
-[[Category: Xiao, L]]
+[[Category: Tulshian D]]
-[[Category: Yang, S]]
+[[Category: Xiao L]]
-[[Category: Hydrolase]]
+[[Category: Yang S]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Inhibitor complex]]
-[[Category: Mg binding]]
-[[Category: Zn binding]]