1zz2: Difference between revisions

Revision as of 18:15, 3 May 2008

Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes

OverviewOverview

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.

About this StructureAbout this Structure

1ZZ2 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

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 Page seeded by OCA on Sat May 3 18:15:37 2008

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OCA

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 [[Image:1zz2.gif|left|200px]]
- {{Structure
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-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= MAPK14, CSBP, CSBP1, CSBP2, MXI2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_1zz2|  PDB=1zz2  |  SCENE=  }}
-|RELATEDENTRY=[[1zyj|1ZYJ]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1zz2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zz2 OCA], [http://www.ebi.ac.uk/pdbsum/1zz2 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1zz2 RCSB]</span>
-}}
 '''Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes'''
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 [[Category: Moffett, K K.]]
 [[Category: Springman, E B.]]
-[[Category: protein-inhibitor complex]]
+[[Category: Protein-inhibitor complex]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 18:15:37 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:43:35 2008''