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[[ | ==P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor== | ||
<StructureSection load='3ocg' size='340' side='right' caption='[[3ocg]], [[Resolution|resolution]] 2.21Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3ocg]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OCG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3OCG FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=OCG:5-AMINO-N-[5-(ISOXAZOL-3-YLCARBAMOYL)-2-METHYLPHENYL]-1-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE'>OCG</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ocg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ocg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ocg RCSB], [http://www.ebi.ac.uk/pdbsum/3ocg PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The synthesis and structure-activity relationships (SAR) of p38alpha MAP kinase inhibitors based on a 5-amino-pyrazole scaffold are described. These studies led to the identification of compound 2j as a potent and selective inhibitor of p38alpha MAP kinase with excellent cellular potency toward the inhibition of TNFalpha production. Compound 2j was highly efficacious in vivo in inhibiting TNFalpha production in an acute murine model of TNFalpha production. X-ray co-crystallography of a 5-amino-pyrazole analog 2f bound to unphosphorylated p38alpha is also disclosed. | |||
5-Amino-pyrazoles as potent and selective p38alpha inhibitors.,Das J, Moquin RV, Dyckman AJ, Li T, Pitt S, Zhang R, Shen DR, McIntyre KW, Gillooly K, Doweyko AM, Newitt JA, Sack JS, Zhang H, Kiefer SE, Kish K, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K Bioorg Med Chem Lett. 2010 Dec 1;20(23):6886-9. Epub 2010 Oct 13. PMID:21035336<ref>PMID:21035336</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | ==See Also== | ||
*[[Mitogen-activated protein kinase|Mitogen-activated protein kinase]] | *[[Mitogen-activated protein kinase|Mitogen-activated protein kinase]] | ||
== References == | |||
== | <references/> | ||
< | __TOC__ | ||
</StructureSection> | |||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Mitogen-activated protein kinase]] | [[Category: Mitogen-activated protein kinase]] | ||
[[Category: Sack, J S | [[Category: Sack, J S]] | ||
[[Category: P38 map kinase]] | [[Category: P38 map kinase]] | ||
[[Category: Serine/threonine-protine kinase]] | [[Category: Serine/threonine-protine kinase]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
[[Category: Transferase-transferase inhibitor complex]] | [[Category: Transferase-transferase inhibitor complex]] | ||
Revision as of 15:09, 9 December 2014
P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitorP38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
Structural highlights
Publication Abstract from PubMedThe synthesis and structure-activity relationships (SAR) of p38alpha MAP kinase inhibitors based on a 5-amino-pyrazole scaffold are described. These studies led to the identification of compound 2j as a potent and selective inhibitor of p38alpha MAP kinase with excellent cellular potency toward the inhibition of TNFalpha production. Compound 2j was highly efficacious in vivo in inhibiting TNFalpha production in an acute murine model of TNFalpha production. X-ray co-crystallography of a 5-amino-pyrazole analog 2f bound to unphosphorylated p38alpha is also disclosed. 5-Amino-pyrazoles as potent and selective p38alpha inhibitors.,Das J, Moquin RV, Dyckman AJ, Li T, Pitt S, Zhang R, Shen DR, McIntyre KW, Gillooly K, Doweyko AM, Newitt JA, Sack JS, Zhang H, Kiefer SE, Kish K, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K Bioorg Med Chem Lett. 2010 Dec 1;20(23):6886-9. Epub 2010 Oct 13. PMID:21035336[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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