1zyj

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[[Image:1zyj.gif|left|200px]]
[[Image:1zyj.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1zyj |SIZE=350|CAPTION= <scene name='initialview01'>1zyj</scene>, resolution 2.0&Aring;
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The line below this paragraph, containing "STRUCTURE_1zyj", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BI5:4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE'>BI5</scene>, <scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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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>
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or leave the SCENE parameter empty for the default display.
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|GENE= MAPK14, CSBP, CSBP1, CSBP2, MXI2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1zyj| PDB=1zyj | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1zyj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zyj OCA], [http://www.ebi.ac.uk/pdbsum/1zyj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1zyj RCSB]</span>
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}}
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'''Human P38 MAP Kinase in Complex with Inhibitor 1a'''
'''Human P38 MAP Kinase in Complex with Inhibitor 1a'''
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[[Category: Michelotti, E L.]]
[[Category: Michelotti, E L.]]
[[Category: Springman, E B.]]
[[Category: Springman, E B.]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 18:14:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:43:18 2008''
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Revision as of 15:14, 3 May 2008

Image:1zyj.gif

Template:STRUCTURE 1zyj

Human P38 MAP Kinase in Complex with Inhibitor 1a


Overview

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 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 Page seeded by OCA on Sat May 3 18:14:27 2008

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OCA

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