4bbx

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==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==
==Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia==
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<StructureSection load='4bbx' size='340' side='right' caption='[[4bbx]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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<StructureSection load='4bbx' size='340' side='right'caption='[[4bbx]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4bbx]] 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=4BBX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BBX FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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]] 2.5&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1lrb|1lrb]], [[2wey|2wey]], [[2y0j|2y0j]], [[4ael|4ael]], [[4ajd|4ajd]], [[4ajf|4ajf]], [[4ajg|4ajg]], [[4ajm|4ajm]]</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=LKF:4-[3-[1-[(2S)-2-METHOXYPROPYL]PYRAZOL-4-YL]-2-METHYL-IMIDAZO[1,2-A]PYRAZIN-8-YL]MORPHOLINE'>LKF</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [http://pdbe.org/4bbx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [http://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx ProSAT]</span></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=4bbx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbx OCA], [https://pdbe.org/4bbx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bbx RCSB], [https://www.ebi.ac.uk/pdbsum/4bbx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bbx ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[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>
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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>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Phosphodiesterase|Phosphodiesterase]]
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Bartolome-Nebreda, J M]]
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[[Category: Large Structures]]
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[[Category: Conde-Ceide, S]]
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[[Category: Bartolome-Nebreda JM]]
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[[Category: Delgado, F]]
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[[Category: Conde-Ceide S]]
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[[Category: Iturrino, L]]
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[[Category: Delgado F]]
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[[Category: Langlois, X]]
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[[Category: Iturrino L]]
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[[Category: Macdonald, G J]]
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[[Category: Langlois X]]
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[[Category: Martin, M L]]
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[[Category: Macdonald GJ]]
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[[Category: Martinez-Viturro, C M]]
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[[Category: Martin ML]]
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[[Category: Megens, A]]
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[[Category: Martinez-Viturro CM]]
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[[Category: Pastor, J]]
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[[Category: Megens A]]
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[[Category: Sanderson, W]]
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[[Category: Pastor J]]
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[[Category: Somers, M]]
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[[Category: Sanderson W]]
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[[Category: Tong, H M]]
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[[Category: Somers M]]
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[[Category: Vanhoof, G]]
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[[Category: Tong HM]]
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[[Category: Hydrolase]]
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[[Category: Vanhoof G]]
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[[Category: Inhibitor complex]]
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[[Category: Magnesium binding]]
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[[Category: Phosphodiesterase inhibitor]]
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[[Category: Zinc binding]]
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Current revision

Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia

PDB ID 4bbx

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