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| [[Image:1q4l.gif|left|200px]] | | {{Seed}} |
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| {{STRUCTURE_1q4l| PDB=1q4l | SCENE= }} | | {{STRUCTURE_1q4l| PDB=1q4l | SCENE= }} |
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| '''GSK-3 Beta complexed with Inhibitor I-5'''
| | ===GSK-3 Beta complexed with Inhibitor I-5=== |
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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.
| | The line below this paragraph, {{ABSTRACT_PUBMED_14529625}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 14529625 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_14529625}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Insulin pathway]] | | [[Category: Insulin pathway]] |
| [[Category: Kinase]] | | [[Category: Kinase]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:51:39 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 02:45:15 2008'' |