1ywr

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|SITE=
|SITE=
|LIGAND= <scene name='pdbligand=LI9:4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE'>LI9</scene>
|LIGAND= <scene name='pdbligand=LI9:4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE'>LI9</scene>
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|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]
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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>
|GENE= Mapk14, Crk1, Csbp1, Csbp2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 Mus musculus])
|GENE= Mapk14, Crk1, Csbp1, Csbp2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 Mus musculus])
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|DOMAIN=
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|RELATEDENTRY=[[1yw2|1YW2]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ywr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ywr OCA], [http://www.ebi.ac.uk/pdbsum/1ywr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ywr RCSB]</span>
}}
}}
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[[Category: Walter, R L.]]
[[Category: Walter, R L.]]
[[Category: Webster, M E.]]
[[Category: Webster, M E.]]
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[[Category: LI9]]
 
[[Category: moncyclic pyrazolone]]
[[Category: moncyclic pyrazolone]]
[[Category: p38 kinase]]
[[Category: p38 kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:28:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:25:24 2008''

Revision as of 22:25, 30 March 2008

Image:1ywr.gif


PDB ID 1ywr

Drag the structure with the mouse to rotate
, resolution 1.95Å
Ligands:
Gene: Mapk14, Crk1, Csbp1, Csbp2 (Mus musculus)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Related: 1YW2


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor


Overview

4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a novel monocyclic, pyrazolone heterocyclic core are described. Many of these inhibitors showed low nanomolar activity against LPS-induced TNF-alpha production. One of the compounds (6e) was found to be efficacious in the rat iodoacetate (RIA) in vivo model of osteoarthritis. The X-ray crystal structure of a pyrazolone inhibitor cocrystallized with mutated p38 (mp38) is presented.

About this Structure

1YWR is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.

Reference

The development of monocyclic pyrazolone based cytokine synthesis inhibitors., Golebiowski A, Townes JA, Laufersweiler MJ, Brugel TA, Clark MP, Clark CM, Djung JF, Laughlin SK, Sabat MP, Bookland RG, VanRens JC, De B, Hsieh LC, Janusz MJ, Walter RL, Webster ME, Mekel MJ, Bioorg Med Chem Lett. 2005 May 2;15(9):2285-9. PMID:15837310

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