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3db8
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3db8 is ON HOLD until Paper Publication Authors: Elling, R.A., Hanan, E.J., Lew, W., Romanowski, M.J. Description: Crystal structure of an activate...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041== | |
| + | <StructureSection load='3db8' size='340' side='right'caption='[[3db8]], [[Resolution|resolution]] 3.15Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3db8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DB8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DB8 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]] 3.15Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1FR:3-[3-CHLORO-5-(5-{[(1S)-1-PHENYLETHYL]AMINO}ISOXAZOLO[5,4-C]PYRIDIN-3-YL)PHENYL]PROPAN-1-OL'>1FR</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=3db8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3db8 OCA], [https://pdbe.org/3db8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3db8 RCSB], [https://www.ebi.ac.uk/pdbsum/3db8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3db8 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q4KMI8_DANRE Q4KMI8_DANRE] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/db/3db8_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3db8 ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of 2-amino-isoxazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors. Key SAR and crystallographic data are discussed. More advanced analogues inhibit Plk1 with good enzymatic activity and modest cell-based activity. Differential selectivity among the three Plk isoforms is observed. | ||
| - | + | Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.,Hanan EJ, Fucini RV, Romanowski MJ, Elling RA, Lew W, Purkey HE, VanderPorten EC, Yang W Bioorg Med Chem Lett. 2008 Oct 1;18(19):5186-9. Epub 2008 Aug 29. PMID:18790636<ref>PMID:18790636</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3db8" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Danio rerio]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Elling RA]] | ||
| + | [[Category: Hanan EJ]] | ||
| + | [[Category: Lew W]] | ||
| + | [[Category: Romanowski MJ]] | ||
Current revision
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041
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