6l15

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(New page: '''Unreleased structure''' The entry 6l15 is ON HOLD Authors: Zhang, W., Xie, Y., Cao, R., Huang, N., Zhou, Y. Description: Crystal structure of Ser/Thr kinase Pim1 in complex with 10-...)
Current revision (12:49, 6 November 2024) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 6l15 is ON HOLD
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==Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives==
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<StructureSection load='6l15' size='340' side='right'caption='[[6l15]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6L15 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6L15 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E2O:7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine'>E2O</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6l15 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6l15 OCA], [https://pdbe.org/6l15 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6l15 RCSB], [https://www.ebi.ac.uk/pdbsum/6l15 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6l15 ProSAT]</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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Pim-1 kinase has been widely regarded as an attractive target for anticancer drugs. Here, we reported our continued efforts in structure-based optimization of compound 10-DEBC, a previously identified micromolar Pim-1 inhibitor. Guided by the Site Identification by Ligand Competitive Saturation (SILCS) method, we quickly obtained a series of 10-DEBC derivatives with significantly improved activity and selectivity. In particular, compound 26 exhibited an IC50 value of 0.9 nM, as well as 220- and 8-fold selectivity over Pim-2 and Pim-3 kinases, respectively.
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Authors: Zhang, W., Xie, Y., Cao, R., Huang, N., Zhou, Y.
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Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.,Li G, Zhang W, Xie Y, Li Y, Cao R, Zheng G, Huang N, Zhou Y J Chem Inf Model. 2020 May 14. doi: 10.1021/acs.jcim.0c00245. PMID:32407627<ref>PMID:32407627</ref>
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Description: Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Cao, R]]
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<div class="pdbe-citations 6l15" style="background-color:#fffaf0;"></div>
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[[Category: Huang, N]]
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[[Category: Zhang, W]]
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==See Also==
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[[Category: Xie, Y]]
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*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
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[[Category: Zhou, Y]]
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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: Large Structures]]
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[[Category: Cao R]]
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[[Category: Huang N]]
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[[Category: Xie Y]]
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[[Category: Zhang W]]
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[[Category: Zhou Y]]

Current revision

Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives

PDB ID 6l15

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