1ykr
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(New page: 200px<br /> <applet load="1ykr" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ykr, resolution 1.8Å" /> '''Crystal structure of...)
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Revision as of 18:14, 12 November 2007
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Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
Overview
Structure-based design approach was successfully used to guide the, evolution of imidazopyridine scaffold yielding new structural class of, highly selective inhibitors of cyclin dependent kinases that were able to, form a new interaction with an identified residue of the protein, Lys89., Compounds from this series have shown no detectable effect when tested, against a representative set of other serine/threonine kinases such as, GSK3beta, CAMKII, PKA, PKC-alpha,beta,epsilon,gamma. Compound 2i inhibits, proliferation in HCT 116 cells in tissue culture. Synthesis, co-crystal, structure of CDK2 in complex with compound 2i, and preliminary SAR study, are disclosed.
About this Structure
1YKR is a Single protein structure of sequence from Homo sapiens with 628 as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.
Reference
Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases., Hamdouchi C, Zhong B, Mendoza J, Collins E, Jaramillo C, De Diego JE, Robertson D, Spencer CD, Anderson BD, Watkins SA, Zhang F, Brooks HB, Bioorg Med Chem Lett. 2005 Apr 1;15(7):1943-7. PMID:15780638
Page seeded by OCA on Mon Nov 12 20:21:26 2007
