8ahm: Difference between revisions
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==Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z== | |||
<StructureSection load='8ahm' size='340' side='right'caption='[[8ahm]], [[Resolution|resolution]] 2.42Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[8ahm]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus], [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus] and [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8AHM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AHM FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACP:PHOSPHOMETHYLPHOSPHONIC+ACID+ADENYLATE+ESTER'>ACP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GDP:GUANOSINE-5-DIPHOSPHATE'>GDP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GTP:GUANOSINE-5-TRIPHOSPHATE'>GTP</scene>, <scene name='pdbligand=M5U:dimethyl+2,2-((12Z,122Z,4S,6Z,8E,10E,15S,17Z,19E,21E)-2,13-dioxo-3,14-dioxa-1(4,2),12(2,4)-dioxazolacyclodocosaphane-6,8,10,17,19,21-hexaene-4,15-diyl)(2S,2S,3S,3S,4E,4E)-bis(3-hydroxyhex-4-enoate)'>M5U</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=8ahm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8ahm OCA], [https://pdbe.org/8ahm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8ahm RCSB], [https://www.ebi.ac.uk/pdbsum/8ahm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8ahm ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/E1BQ43_CHICK E1BQ43_CHICK] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
We describe the total synthesis of the macrodiolide C(13)/C(13')-bis(desmethyl)disorazole Z via double inter-/intramolecular Stille cross-coupling of a monomeric vinyl stannane/vinyl iodide precursor to achieve macrocycle formation. The key step in the synthesis of this precursor was a stereoselective aldol reaction of a formal Evans acetate aldol product with crotonaldehyde. As demonstrated by X-ray crystallography, the binding mode of C(13)/C(13')-bis(desmethyl)disorazole Z to tubulin is virtually identical with that of the natural product disorazole Z. Likewise, C(13)/C(13')-bis(desmethyl)disorazole Z inhibits tubulin assembly with at least the same potency as disorazole Z and it appears to be a more potent cell growth inhibitor. | |||
Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z.,Bold CP, Lucena-Agell D, Oliva MA, Diaz JF, Altmann KH Angew Chem Int Ed Engl. 2022 Oct 25. doi: 10.1002/anie.202212190. PMID:36281761<ref>PMID:36281761</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 8ahm" style="background-color:#fffaf0;"></div> | ||
[[Category: Diaz | == References == | ||
[[Category: | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Bos taurus]] | |||
[[Category: Gallus gallus]] | |||
[[Category: Large Structures]] | |||
[[Category: Rattus norvegicus]] | |||
[[Category: Altmann KH]] | |||
[[Category: Diaz JF]] | |||
[[Category: Oliva MA]] | |||
