Journal:JBIC:2

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<applet load="" size="600" color="" frame="true" spin="on" Scene ="Journal:JBIC:2/Opening/1" align="right" caption="Crystal Structure of Glycogen Synthase Kinase 3ß bound to Anticancer Ruthenium Complex "/>
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<applet load="" size="450" color="" frame="true" spin="on" Scene ="Journal:JBIC:2/Opening/1" align="right" caption="Crystal Structure of Glycogen Synthase Kinase 3ß bound to Anticancer Ruthenium Complex "/>
===Structure of Anticancer Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3ß===
===Structure of Anticancer Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3ß===
<big>G. Atilla-Gocumen, L. Di Costanzo, E. Meggers</big> <ref>DOI 10.1007/s00775-010-0699-x</ref>
<big>G. Atilla-Gocumen, L. Di Costanzo, E. Meggers</big> <ref>DOI 10.1007/s00775-010-0699-x</ref>

Revision as of 11:48, 3 November 2013

Crystal Structure of Glycogen Synthase Kinase 3ß bound to Anticancer Ruthenium Complex

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Structure of Anticancer Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3ß

G. Atilla-Gocumen, L. Di Costanzo, E. Meggers [1]

Molecular Tour
        A crystal structure of an bound to the protein kinase glycogen synthase kinase 3ß (GSK-3ß) has been determined and reveals that the inhibitor binds to the via an induced fit mechanism utlizing several and . Importantly, the metal is not involved in any direct interaction with the protein kinase but fulfills a purely structural role. The unique, bulky molecular structure of the half-sandwich complex with the CO-ligand oriented perpendicular to the pyridocarbazole heterocycle allows the complex to stretch the whole distance and to interact tightly with . Although this complex is a conventional ATP-competitive binder, the unique shape of the complex allows novel interactions with the glycine-rich loop which are crucial for binding potency and selectivity. It can be hypothesized that coordination spheres which present other ligands towards the glycine-rich loop might display completely different protein kinase selectivities.

  1. ↑ Atilla-Gokcumen GE, Di Costanzo L, Meggers E. Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta. J Biol Inorg Chem. 2010 Sep 7. PMID:20821241 doi:10.1007/s00775-010-0699-x

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