4fjz
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
| - | [[ | + | ==Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63== |
| + | <StructureSection load='4fjz' size='340' side='right' caption='[[4fjz]], [[Resolution|resolution]] 3.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4fjz]] 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=4FJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FJZ FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4FJ:1-[7-FLUORO-3-METHYL-2-(PYRIDIN-2-YL)QUINOLIN-4-YL]-6-(MORPHOLIN-4-YL)-1,2,2,3,5,6-HEXAHYDROSPIRO[PYRAN-4,3-PYRROLO[3,2-B]PYRIDINE]'>4FJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4fjy|4fjy]], [[4flh|4flh]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PIK3CG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=4fjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fjz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4fjz RCSB], [http://www.ebi.ac.uk/pdbsum/4fjz PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Structure-based rational design led to the synthesis of a novel series of potent PI3K inhibitors. The optimized pyrrolopyridine analogue 63 was a potent and selective PI3Kbeta/delta dual inhibitor that displayed suitable physicochemical properties and pharmacokinetic profile for animal studies. Analogue 63 was found to be efficacious in animal models of inflammation including a keyhole limpet hemocyanin (KLH) study and a collagen-induced arthritis (CIA) disease model of rheumatoid arthritis. These studies highlight the potential therapeutic value of inhibiting both the PI3Kbeta and delta isoforms in the treatment of a number of inflammatory diseases. | ||
| - | + | Discovery and in Vivo Evaluation of Dual PI3Kbeta/delta Inhibitors.,Gonzalez-Lopez de Turiso F, Shin Y, Brown M, Cardozo M, Chen Y, Fong D, Hao X, He X, Henne K, Hu YL, Johnson MG, Kohn T, Lohman J, McBride HJ, McGee LR, Medina JC, Metz D, Miner K, Mohn D, Pattaropong V, Seganish J, Simard JL, Wannberg S, Whittington DA, Yu G, Cushing TD J Med Chem. 2012 Sep 13;55(17):7667-85. Epub 2012 Aug 29. PMID:22876881<ref>PMID:22876881</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Phosphoinositide 3-Kinases|Phosphoinositide 3-Kinases]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Tang, J | + | [[Category: Tang, J]] |
| - | [[Category: Whittington, D A | + | [[Category: Whittington, D A]] |
| - | [[Category: Yakowec, P | + | [[Category: Yakowec, P]] |
[[Category: C2 domain]] | [[Category: C2 domain]] | ||
[[Category: Cancer]] | [[Category: Cancer]] | ||
Revision as of 15:04, 9 December 2014
Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
| |||||||||||
Categories: Homo sapiens | Tang, J | Whittington, D A | Yakowec, P | C2 domain | Cancer | Inflammation | Kinase | Leukocyte | P110 | P85 | Phosphotransferase | Transferase-inhibitor complex
