2i0h: Difference between revisions

Revision as of 06:55, 4 May 2008

The structure of p38alpha in complex with an arylpyridazinone

OverviewOverview

p38 inhibitors based on 3,4-dihydropyrido[4,3-d]pyrimidazin-2-one template were synthesized and their SAR explored. Benchmark compounds 30, 35, and 36 were found to be potent against the enzyme. Crystal structure of p38 in complex with 30 indicated a key pi-stacking interaction with the pendant tyrosine residue-35 in the glycine-rich loop.

About this StructureAbout this Structure

2I0H is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design., Natarajan SR, Heller ST, Nam K, Singh SB, Scapin G, Patel S, Thompson JE, Fitzgerald CE, O'Keefe SJ, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5809-13. Epub 2006 Aug 30. PMID:16945533 Page seeded by OCA on Sun May 4 06:55:54 2008

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OCA

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 [[Image:2i0h.gif|left|200px]]
- {{Structure
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-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] </span>
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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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-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2i0h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2i0h OCA], [http://www.ebi.ac.uk/pdbsum/2i0h PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2i0h RCSB]</span>
-}}
 '''The structure of p38alpha in complex with an arylpyridazinone'''
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 [[Category: Singh, S B.]]
 [[Category: Thompson, J E.]]
-[[Category: inhibitor design]]
+[[Category: Inhibitor design]]
-[[Category: serine/threonine kinase]]
+[[Category: Serine/threonine kinase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 06:55:54 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:38:01 2008''