4ael: Difference between revisions

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==PDE10A in complex with the inhibitor AZ5==
==PDE10A in complex with the inhibitor AZ5==
<StructureSection load='4ael' size='340' side='right' caption='[[4ael]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
<StructureSection load='4ael' size='340' side='right' caption='[[4ael]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4ael]] 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=4AEL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AEL FirstGlance]. <br>
<table><tr><td colspan='2'>[[4ael]] 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=4AEL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AEL FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4HN:2-(2-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE'>4HN</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4HN:2-(2-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE'>4HN</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2y5v|2y5v]], [[1lrb|1lrb]], [[2wey|2wey]], [[2y5x|2y5x]], [[2y5u|2y5u]], [[2y0j|2y0j]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2y5v|2y5v]], [[1lrb|1lrb]], [[2wey|2wey]], [[2y5x|2y5x]], [[2y5u|2y5u]], [[2y0j|2y0j]]</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=4ael FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ael OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ael RCSB], [http://www.ebi.ac.uk/pdbsum/4ael PDBsum]</span></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=4ael FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ael OCA], [http://pdbe.org/4ael PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ael RCSB], [http://www.ebi.ac.uk/pdbsum/4ael PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ael ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
Line 17: Line 18:
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
<div class="pdbe-citations 4ael" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Human]]
[[Category: Bauer, M]]
[[Category: Bauer, M]]
[[Category: Bauer, U]]
[[Category: Bauer, U]]

Revision as of 04:45, 5 August 2016

PDE10A in complex with the inhibitor AZ5PDE10A in complex with the inhibitor AZ5

Structural highlights

4ael is a 2 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[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.[1]

Publication Abstract from PubMed

A series of 1,6-naphthyridine-based compounds was synthesized as potent phosphodiesterase 10A (PDE10A) inhibitors. Structure-based chemical modifications of the discovered chemotype served to further improve potency and selectivity over DHODH, laying the foundation for future optimization efforts.

Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors.,Bauer U, Giordanetto F, Bauer M, O'Mahony G, Johansson KE, Knecht W, Hartleib-Geschwindner J, Carlsson ET, Enroth C Bioorg Med Chem Lett. 2012 Mar 1;22(5):1944-8. Epub 2012 Jan 26. PMID:22321214[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Wang H, Liu Y, Hou J, Zheng M, Robinson H, Ke H. Structural insight into substrate specificity of phosphodiesterase 10. Proc Natl Acad Sci U S A. 2007 Apr 3;104(14):5782-7. Epub 2007 Mar 26. PMID:17389385
  2. ↑ Bauer U, Giordanetto F, Bauer M, O'Mahony G, Johansson KE, Knecht W, Hartleib-Geschwindner J, Carlsson ET, Enroth C. Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1944-8. Epub 2012 Jan 26. PMID:22321214 doi:10.1016/j.bmcl.2012.01.046

4ael, resolution 2.20Å

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