4wwo

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'''Unreleased structure'''
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==Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine==
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<StructureSection load='4wwo' size='340' side='right' caption='[[4wwo]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4wwo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WWO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WWO FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3VD:N-{(1S)-1-[8-CHLORO-2-(3-FLUOROPHENYL)QUINOLIN-3-YL]ETHYL}-9H-PURIN-6-AMINE'>3VD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4wwn|4wwn]], [[4wwp|4wwp]]</td></tr>
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<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=4wwo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wwo OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wwo RCSB], [http://www.ebi.ac.uk/pdbsum/4wwo PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The development and optimization of a series of quinolinylpurines as potent and selective PI3Kdelta kinase inhibitors with excellent physicochemical properties are described. This medicinal chemistry effort led to the identification of 1 (AMG319), a compound with an IC50 of 16 nM in a human whole blood assay (HWB), excellent selectivity over a large panel of protein kinases, and a high level of in vivo efficacy as measured by two rodent disease models of inflammation.
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The entry 4wwo is ON HOLD until Paper Publication
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Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3Kdelta Inhibitors for Inflammation and Autoimmune Disease.,Cushing TD, Hao X, Shin Y, Andrews K, Brown M, Cardozo M, Chen Y, Duquette J, Fisher B, Gonzalez-Lopez de Turiso F, He X, Henne KR, Hu YL, Hungate R, Johnson MG, Kelly RC, Lucas B, McCarter JD, McGee LR, Medina JC, San Miguel T, Mohn D, Pattaropong V, Pettus LH, Reichelt A, Rzasa RM, Seganish J, Tasker AS, Wahl RC, Wannberg S, Whittington DA, Whoriskey J, Yu G, Zalameda L, Zhang D, Metz DP J Med Chem. 2014 Dec 3. PMID:25469863<ref>PMID:25469863</ref>
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Authors: Whittington, D.A., Tang, J., Yakowec, P.
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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Description:
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Tang, J]]
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[[Category: Whittington, D A]]
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[[Category: Yakowec, P]]
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[[Category: Kinase]]
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[[Category: Phosphotransfer]]
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[[Category: Pip2]]

Revision as of 12:39, 17 December 2014

Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine

4wwo, resolution 2.30Å

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