1zyj

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{{STRUCTURE_1zyj| PDB=1zyj | SCENE= }}
{{STRUCTURE_1zyj| PDB=1zyj | SCENE= }}
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'''Human P38 MAP Kinase in Complex with Inhibitor 1a'''
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===Human P38 MAP Kinase in Complex with Inhibitor 1a===
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==Overview==
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Two new classes of diphenylether inhibitors of p38alpha MAP kinase are described. Both chemical classes are based on a common diphenylether core that is identified by simulated fragment annealing as one of the most favored chemotypes within a prominent hydrophobic pocket of the p38alpha ATP-binding site. In the fully elaborated molecules, the diphenylether moiety acts as an anchor occupying the deep pocket, while polar extensions make specific interactions with either the adenine binding site or the phosphate binding site of ATP. The synthesis, crystallographic analysis, and biological activity of these p38alpha inhibitors are discussed.
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(as it appears on PubMed at http://www.pubmed.gov), where 16169718 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16169718}}
==About this Structure==
==About this Structure==
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[[Category: Springman, E B.]]
[[Category: Springman, E B.]]
[[Category: Protein-inhibitor complex]]
[[Category: Protein-inhibitor complex]]
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Revision as of 09:11, 29 July 2008

Image:1zyj.png

Template:STRUCTURE 1zyj

Human P38 MAP Kinase in Complex with Inhibitor 1a

Template:ABSTRACT PUBMED 16169718

About this Structure

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

Reference

Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes., Michelotti EL, Moffett KK, Nguyen D, Kelly MJ, Shetty R, Chai X, Northrop K, Namboodiri V, Campbell B, Flynn GA, Fujimoto T, Hollinger FP, Bukhtiyarova M, Springman EB, Karpusas M, Bioorg Med Chem Lett. 2005 Dec 1;15(23):5274-9. Epub 2005 Sep 19. PMID:16169718

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