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1pyx

From Proteopedia

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[[Image:1pyx.gif|left|200px]]
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{{STRUCTURE_1pyx| PDB=1pyx | SCENE= }}
{{STRUCTURE_1pyx| PDB=1pyx | SCENE= }}
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'''GSK-3 Beta complexed with AMP-PNP'''
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===GSK-3 Beta complexed with AMP-PNP===
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==Overview==
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GSK-3beta is a regulatory serine/threonine kinase with a plethora of cellular targets. Consequently, selective small molecule inhibitors of GSK-3beta may have a variety of therapeutic uses including the treatment of neurodegenerative diseases, type II diabetes and cancer. In order to characterize the active site of GSK-3beta, we determined crystal structures of unphosphorylated GSK-3beta in complex with selective and non-selective ATP-mimetic inhibitors. Analysis of the inhibitors' interactions with GSK-3beta in the structures reveals how the enzyme can accommodate a number of diverse molecular scaffolds. In addition, a conserved water molecule near Thr138 is identified that can serve a functional role in inhibitor binding. Finally, a comparison of the interactions made by selective and non-selective inhibitors highlights residues on the edge of the ATP binding-site that can be used to obtain inhibitor selectivity. Information gained from these structures provides a promising route for the design of second-generation GSK-3beta inhibitors.
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(as it appears on PubMed at http://www.pubmed.gov), where 14529625 is the PubMed ID number.
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{{ABSTRACT_PUBMED_14529625}}
==About this Structure==
==About this Structure==
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[[Category: Insulin pathway]]
[[Category: Insulin pathway]]
[[Category: Kinase]]
[[Category: Kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:39:38 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 13:44:34 2008''

Revision as of 10:44, 27 July 2008

Image:1pyx.png

Template:STRUCTURE 1pyx

GSK-3 Beta complexed with AMP-PNP

Template:ABSTRACT PUBMED 14529625

About this Structure

1PYX is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors., Bertrand JA, Thieffine S, Vulpetti A, Cristiani C, Valsasina B, Knapp S, Kalisz HM, Flocco M, J Mol Biol. 2003 Oct 17;333(2):393-407. PMID:14529625

Page seeded by OCA on Sun Jul 27 13:44:34 2008

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