1zyj
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 1zyj |SIZE=350|CAPTION= <scene name='initialview01'>1zyj</scene>, resolution 2.0Å | |PDB= 1zyj |SIZE=350|CAPTION= <scene name='initialview01'>1zyj</scene>, resolution 2.0Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=BI5:4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE'>BI5</scene>, <scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene> |
| - | |ACTIVITY= [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] | + | |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> |
|GENE= MAPK14, CSBP, CSBP1, CSBP2, MXI2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |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= | ||
| + | |RELATEDENTRY= | ||
| + | |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> | ||
}} | }} | ||
| Line 26: | Line 29: | ||
[[Category: Michelotti, E L.]] | [[Category: Michelotti, E L.]] | ||
[[Category: Springman, E B.]] | [[Category: Springman, E B.]] | ||
| - | [[Category: BI5]] | ||
| - | [[Category: BOG]] | ||
[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:43:18 2008'' |
Revision as of 22:43, 30 March 2008
| |||||||
| , resolution 2.0Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | MAPK14, CSBP, CSBP1, CSBP2, MXI2 (Homo sapiens) | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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 Mon Mar 31 01:43:18 2008
