5ae9

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'''Unreleased structure'''
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==Crystal structure of mouse PI3 kinase delta in complex with GSK2292767==
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<StructureSection load='5ae9' size='340' side='right' caption='[[5ae9]], [[Resolution|resolution]] 2.44&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5ae9]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AE9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AE9 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=OKO:N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE'>OKO</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ae8|5ae8]]</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=5ae9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ae9 OCA], [http://pdbe.org/5ae9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ae9 RCSB], [http://www.ebi.ac.uk/pdbsum/5ae9 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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Optimization of lead compound 1, through extensive use of structure-based design and a focus on PI3Kdelta potency, isoform selectivity, and inhaled PK properties, led to the discovery of clinical candidates 2 (GSK2269557) and 3 (GSK2292767) for the treatment of respiratory indications via inhalation. Compounds 2 and 3 are both highly selective for PI3Kdelta over the closely related isoforms and are active in a disease relevant brown Norway rat acute OVA model of Th2-driven lung inflammation.
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The entry 5ae9 is ON HOLD
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Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase delta for the Treatment of Respiratory Disease.,Down K, Amour A, Baldwin IR, Cooper AW, Deakin AM, Felton LM, Guntrip SB, Hardy C, Harrison ZA, Jones KL, Jones P, Keeling SE, Le J, Livia S, Lucas F, Lunniss CJ, Parr NJ, Robinson E, Rowland P, Smith S, Thomas DA, Vitulli G, Washio Y, Hamblin JN J Med Chem. 2015 Sep 24;58(18):7381-99. doi: 10.1021/acs.jmedchem.5b00767. Epub, 2015 Sep 3. PMID:26301626<ref>PMID:26301626</ref>
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Authors: Down, K.D., Amour, A., Baldwin, I.R., Cooper, A.W.J., Deakin, A.M., Felton, L.M., Guntrip, S.B., Hardy, C., Harrison, Z.A., Jones, K.L., Jones, P., Keeling, S.E., Le, J., Livia, S., Lucas, F., Lunniss, C.J., Parr, N.J., Robinson, E., Rowland, P., Smith, S., Thomas, D.A., Vitulli, G., Washio, Y., Hamblin, N.
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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: Crystal structure of mouse PI3 kinase delta in complex with GSK2292767
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<div class="pdbe-citations 5ae9" style="background-color:#fffaf0;"></div>
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[[Category: Unreleased Structures]]
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== References ==
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[[Category: Guntrip, S.B]]
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<references/>
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[[Category: Cooper, A.W.J]]
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__TOC__
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[[Category: Washio, Y]]
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</StructureSection>
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[[Category: Amour, A]]
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[[Category: Baldwin, I R]]
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[[Category: Cooper, A W.J]]
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[[Category: Deakin, A M]]
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[[Category: Down, K D]]
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[[Category: Felton, L M]]
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[[Category: Guntrip, S B]]
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[[Category: Hamblin, N]]
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[[Category: Hardy, C]]
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[[Category: Harrison, Z A]]
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[[Category: Jones, K L]]
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[[Category: Jones, P]]
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[[Category: Keeling, S E]]
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[[Category: Le, J]]
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[[Category: Livia, S]]
[[Category: Lucas, F]]
[[Category: Lucas, F]]
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[[Category: Down, K.D]]
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[[Category: Lunniss, C J]]
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[[Category: Harrison, Z.A]]
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[[Category: Parr, N J]]
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[[Category: Robinson, E]]
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[[Category: Rowland, P]]
[[Category: Smith, S]]
[[Category: Smith, S]]
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[[Category: Jones, K.L]]
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[[Category: Thomas, D A]]
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[[Category: Robinson, E]]
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[[Category: Livia, S]]
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[[Category: Baldwin, I.R]]
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[[Category: Thomas, D.A]]
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[[Category: Jones, P]]
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[[Category: Vitulli, G]]
[[Category: Vitulli, G]]
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[[Category: Keeling, S.E]]
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[[Category: Washio, Y]]
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[[Category: Lunniss, C.J]]
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[[Category: Transferase]]
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[[Category: Felton, L.M]]
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[[Category: Parr, N.J]]
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[[Category: Hardy, C]]
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[[Category: Hamblin, N]]
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[[Category: Rowland, P]]
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[[Category: Amour, A]]
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[[Category: Deakin, A.M]]
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[[Category: Le, J]]
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Revision as of 07:29, 7 October 2015

Crystal structure of mouse PI3 kinase delta in complex with GSK2292767

5ae9, resolution 2.44Å

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