3l9l
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3l9l is ON HOLD Authors: Huang X. Description: crystal structure of pka with compound 36 ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of pka with compound 36== | |
| + | <StructureSection load='3l9l' size='340' side='right'caption='[[3l9l]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3l9l]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3L9L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3L9L FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L9L:5-[2-({(2S)-2-AMINO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPYL}AMINO)-1,3-THIAZOL-5-YL]-1,3-DIHYDRO-2H-INDOL-2-ONE'>L9L</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3l9l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3l9l OCA], [https://pdbe.org/3l9l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3l9l RCSB], [https://www.ebi.ac.uk/pdbsum/3l9l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3l9l ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/IPKA_HUMAN IPKA_HUMAN] Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Through a combination of screening and structure-based rational design, we have discovered a series of N(1)-(5-(heterocyclyl)-thiazol-2-yl)-3-(4-trifluoromethylphenyl)-1,2-propa nediamines that were developed into potent ATP competitive inhibitors of AKT. Studies of linker strand-binding adenine isosteres identified SAR trends in potency and selectivity that were consistent with binding interactions observed in structures of the inhibitors bound to AKT1 and to the counter-screening target PKA. One compound was shown to have acceptable pharmacokinetic properties and to be a potent inhibitor of AKT signaling and of in vivo xenograft tumor growth in a preclinical model of glioblastoma. | ||
| - | + | Azole-based inhibitors of AKT/PKB for the treatment of cancer.,Zeng Q, Allen JG, Bourbeau MP, Wang X, Yao G, Tadesse S, Rider JT, Yuan CC, Hong FT, Lee MR, Zhang S, Lofgren JA, Freeman DJ, Yang S, Li C, Tominey E, Huang X, Hoffman D, Yamane HK, Fotsch C, Dominguez C, Hungate R, Zhang X Bioorg Med Chem Lett. 2010 Mar 1;20(5):1559-64. Epub 2010 Jan 21. PMID:20137943<ref>PMID:20137943</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3l9l" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[CAMP-dependent protein kinase 3D structures|CAMP-dependent protein kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Huang X]] | ||
Current revision
Crystal structure of pka with compound 36
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