3bz8

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[[Image:3bz8.png|left|200px]]
 
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==Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II==
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The line below this paragraph, containing "STRUCTURE_3bz8", creates the "Structure Box" on the page.
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<StructureSection load='3bz8' size='340' side='right'caption='[[3bz8]], [[Resolution|resolution]] 2.20&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'>[[3bz8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Dictyostelium_discoideum Dictyostelium discoideum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BZ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BZ8 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]] 2.2&#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=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=BL6:(3AS)-3A-HYDROXY-7-METHYL-1-PHENYL-1,2,3,3A-TETRAHYDRO-4H-PYRROLO[2,3-B]QUINOLIN-4-ONE'>BL6</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=VO4:VANADATE+ION'>VO4</scene></td></tr>
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{{STRUCTURE_3bz8| PDB=3bz8 | 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=3bz8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bz8 OCA], [https://pdbe.org/3bz8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bz8 RCSB], [https://www.ebi.ac.uk/pdbsum/3bz8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bz8 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/MYS2_DICDI MYS2_DICDI] Myosin is a protein that binds to actin and has ATPase activity that is activated by actin.
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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/bz/3bz8_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=3bz8 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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The small molecule blebbistatin is now a front line tool in the study of myosin function. Chemical modification of the tricyclic core of blebbistatin could deliver the next generation of myosin inhibitors and to help address this we report here on the impact of structural changes in the methyl-substituted aromatic ring of blebbistatin on its biological activity. Chemical methods for the preparation of isomeric methyl-containing analogues are reported and a series of co-crystal structures are used to rationalise the observed variations in their biological activity. These studies further support the view that the previously identified binding mode of blebbistatin to Dictyostelium discoideum myosin II is of relevance to its mode of action. A discussion of the role that these observations have on planning the synthesis of focused libraries of blebbistatin analogues is also provided including an assessment of possibilities by computational methods. These studies are ultimately directed at the development of novel myosin inhibitors with improved affinity and different selectivity profiles from blebbistatin itself.
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===Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II===
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The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.,Lucas-Lopez C, Allingham JS, Lebl T, Lawson CP, Brenk R, Sellers JR, Rayment I, Westwood NJ Org Biomol Chem. 2008 Jun 21;6(12):2076-84. Epub 2008 Apr 21. PMID:18528569<ref>PMID:18528569</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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The line below this paragraph, {{ABSTRACT_PUBMED_18528569}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 3bz8" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 18528569 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18528569}}
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==About this Structure==
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[[3bz8]] is a 1 chain structure of [[Myosin]] with sequence from [http://en.wikipedia.org/wiki/Dictyostelium_discoideum Dictyostelium discoideum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BZ8 OCA].
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==See Also==
==See Also==
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*[[Myosin]]
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*[[Myosin 3D Structures|Myosin 3D Structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:18528569</ref><ref group="xtra">PMID:15750603</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Dictyostelium discoideum]]
[[Category: Dictyostelium discoideum]]
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[[Category: Allingham, J S.]]
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[[Category: Large Structures]]
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[[Category: Rayment, I.]]
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[[Category: Allingham JS]]
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[[Category: Actin-binding]]
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[[Category: Rayment I]]
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[[Category: Atp-binding]]
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[[Category: Blebbistatin analogue]]
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[[Category: Calmodulin-binding]]
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[[Category: Coiled coil]]
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[[Category: Contractile protein]]
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[[Category: Cytoplasm]]
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[[Category: Methylation]]
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[[Category: Motor domain]]
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[[Category: Motor protein]]
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[[Category: Myosin inhibitor]]
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[[Category: Nucleotide-binding]]
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[[Category: Phosphoprotein]]
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Current revision

Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II

PDB ID 3bz8

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