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[[Image:3zrk.png|left|200px]]
==Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors==
<StructureSection load='3zrk' size='340' side='right' caption='[[3zrk]], [[Resolution|resolution]] 2.37&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3zrk]] is a 4 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=3ZRK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZRK FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZRK:2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE'>ZRK</scene><br>
<tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2uw9|2uw9]], [[1o6k|1o6k]], [[1gng|1gng]], [[1h8f|1h8f]], [[1q3w|1q3w]], [[1i09|1i09]], [[1o9u|1o9u]], [[2x37|2x37]], [[1o6l|1o6l]], [[2jdr|2jdr]], [[1j1b|1j1b]], [[1r0e|1r0e]], [[2x39|2x39]], [[1q41|1q41]], [[1q3d|1q3d]], [[2jld|2jld]], [[1q5k|1q5k]], [[2jdo|2jdo]], [[1pyx|1pyx]], [[1q4l|1q4l]], [[1j1c|1j1c]], [[2xh5|2xh5]], [[1uv5|1uv5]], [[3zrm|3zrm]], [[3zrl|3zrl]]</td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/[Tau_protein]_kinase [Tau protein] kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.26 2.7.11.26] </span></td></tr>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3zrk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zrk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3zrk RCSB], [http://www.ebi.ac.uk/pdbsum/3zrk PDBsum]</span></td></tr>
<table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented.


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Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors.,Gentile G, Bernasconi G, Pozzan A, Merlo G, Marzorati P, Bamborough P, Bax B, Bridges A, Brough C, Carter P, Cutler G, Neu M, Takada M Bioorg Med Chem Lett. 2011 Aug 15;21(16):4823-7. Epub 2011 Jun 29. PMID:21764580<ref>PMID:21764580</ref>
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{{STRUCTURE_3zrk|  PDB=3zrk  |  SCENE=  }}


===Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors===
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
</div>


 
==See Also==
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*[[Glycogen synthase kinase 3|Glycogen synthase kinase 3]]
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== References ==
(as it appears on PubMed at http://www.pubmed.gov), where 21764580 is the PubMed ID number.
<references/>
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{{ABSTRACT_PUBMED_21764580}}
</StructureSection>
 
==About this Structure==
[[3zrk]] is a 4 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=3ZRK OCA].
 
==Reference==
<ref group="xtra">PMID:021764580</ref><references group="xtra"/>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Bamborough, P.]]
[[Category: Bamborough, P.]]

Revision as of 10:16, 5 June 2014

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitorsIdentification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

Structural highlights

3zrk is a 4 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:, ,
NonStd Res:
Related:2uw9, 1o6k, 1gng, 1h8f, 1q3w, 1i09, 1o9u, 2x37, 1o6l, 2jdr, 1j1b, 1r0e, 2x39, 1q41, 1q3d, 2jld, 1q5k, 2jdo, 1pyx, 1q4l, 1j1c, 2xh5, 1uv5, 3zrm, 3zrl
Activity:[Tau_protein_kinase [Tau protein] kinase], with EC number 2.7.11.26
Resources:FirstGlance, OCA, RCSB, PDBsum

Publication Abstract from PubMed

The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3beta inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented.

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors.,Gentile G, Bernasconi G, Pozzan A, Merlo G, Marzorati P, Bamborough P, Bax B, Bridges A, Brough C, Carter P, Cutler G, Neu M, Takada M Bioorg Med Chem Lett. 2011 Aug 15;21(16):4823-7. Epub 2011 Jun 29. PMID:21764580[1]

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

See Also

References

  1. ↑ Gentile G, Bernasconi G, Pozzan A, Merlo G, Marzorati P, Bamborough P, Bax B, Bridges A, Brough C, Carter P, Cutler G, Neu M, Takada M. Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4823-7. Epub 2011 Jun 29. PMID:21764580 doi:10.1016/j.bmcl.2011.06.050

3zrk, resolution 2.37Å

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