2OW3

Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor

Summary for 2OW3

• Entry DOI: 10.2210/pdb2ow3/pdb
• Descriptor: Glycogen synthase kinase-3 beta, BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE (3 entities in total)
• Functional Keywords: kinase-inhibitor complex, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : P49841
• Total number of polymer chains: 2
• Total formula weight: 81251.28

Authors

Zhang, H.C.,Bonaga, L.V.,Ye, H.,Derian, C.K.,Damiano, B.P.,Maryanoff, B.E. (deposition date: 2007-02-15, release date: 2008-02-19, Last modification date: 2024-11-13)

Primary citation

Zhang, H.C.,Bonaga, L.V.,Ye, H.,Derian, C.K.,Damiano, B.P.,Maryanoff, B.E.
Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3.
Bioorg.Med.Chem.Lett., 17:2863-2868, 2007

PubMed Abstract: Novel bis(indolyl)maleimide pyridinophanes 3, 9a, 9b, 10a, 10b, and 11 were prepared by cobalt-mediated [2+2+2] cycloaddition of an appropriate alpha,omega-diyne with an N,N-dialkylcyanamide. These macrocyclic heterophanes were found to be potent, selective inhibitors of glycogen synthase kinase-3beta. An X-ray structure of a co-crystal of GSK-3beta and 3 (IC(50)=3nM) depicts the hydrogen bonding and hydrophobic interactions in the ATP-binding pocket of this serine/threonine protein kinase.

PubMed: 17350261
DOI: 10.1016/j.bmcl.2007.02.059

Experimental method

X-RAY DIFFRACTION (2.8 Å)