6l14: Difference between revisions

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OCA

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-'''Unreleased structure'''
-The entry 6l14 is ON HOLD
+==Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives==
+<StructureSection load='6l14' size='340' side='right'caption='[[6l14]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6L14 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6L14 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]] 1.95&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E2L:2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine'>E2L</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</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=6l14 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6l14 OCA], [https://pdbe.org/6l14 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6l14 RCSB], [https://www.ebi.ac.uk/pdbsum/6l14 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6l14 ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-Authors: Zhang, W., Xie, Y., Cao, R., Huang, N., Zhou, Y.
+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>
-Description: Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Cao, R]]
+<div class="pdbe-citations 6l14" style="background-color:#fffaf0;"></div>
-[[Category: Huang, N]]
-[[Category: Zhang, W]]
+==See Also==
-[[Category: Xie, Y]]
+*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
-[[Category: Zhou, Y]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Cao R]]
+[[Category: Huang N]]
+[[Category: Xie Y]]
+[[Category: Zhang W]]
+[[Category: Zhou Y]]