3dbf

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{{Seed}}
 
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[[Image:3dbf.png|left|200px]]
 
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==Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562==
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The line below this paragraph, containing "STRUCTURE_3dbf", creates the "Structure Box" on the page.
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<StructureSection load='3dbf' size='340' side='right'caption='[[3dbf]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3dbf]] 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=3DBF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DBF FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 3.2&#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=5FR:4-({1-[3-(3-AMINO-3-OXOPROPYL)-5-CHLOROPHENYL]-3-METHYL-1H-PYRAZOLO[4,3-C]PYRIDIN-6-YL}AMINO)-3-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE'>5FR</scene></td></tr>
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{{STRUCTURE_3dbf| PDB=3dbf | SCENE= }}
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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=3dbf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dbf OCA], [https://pdbe.org/3dbf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dbf RCSB], [https://www.ebi.ac.uk/pdbsum/3dbf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dbf ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q4KMI8_DANRE Q4KMI8_DANRE]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/db/3dbf_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=3dbf ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of 2-amino-pyrazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors based on a low micromolar hit. The SAR was developed to provide compounds exhibiting low nanomolar inhibitory activity of Plk1; the phenotype of treated cells is consistent with Plk1 inhibition. A co-crystal structure of one of these compounds with zPlk1 confirms an ATP-competitive binding mode.
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===Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562===
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Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.,Fucini RV, Hanan EJ, Romanowski MJ, Elling RA, Lew W, Barr KJ, Zhu J, Yoburn JC, Liu Y, Fahr BT, Fan J, Lu Y, Pham P, Choong IC, VanderPorten EC, Bui M, Purkey HE, Evanchik MJ, Yang W Bioorg Med Chem Lett. 2008 Oct 15;18(20):5648-52. Epub 2008 Aug 29. PMID:18793847<ref>PMID:18793847</ref>
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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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<div class="pdbe-citations 3dbf" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18793847}}, adds the Publication Abstract to the page
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*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18793847 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18793847}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3DBF is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DBF OCA].
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==Reference==
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<ref group="xtra">PMID:18793847</ref><references group="xtra"/>
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[[Category: Danio rerio]]
[[Category: Danio rerio]]
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[[Category: Polo kinase]]
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[[Category: Large Structures]]
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[[Category: Barr, K J.]]
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[[Category: Barr KJ]]
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[[Category: Elling, R A.]]
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[[Category: Elling RA]]
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[[Category: Romanowski, M J.]]
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[[Category: Romanowski MJ]]
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[[Category: Zhu, J.]]
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[[Category: Zhu J]]
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[[Category: Catalytic domain]]
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[[Category: Kinase]]
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[[Category: Plk1]]
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[[Category: Polo-like kinase 1]]
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[[Category: Small-molecule inhibitor]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 10:16:20 2009''
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Current revision

Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562

PDB ID 3dbf

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OCA

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