6agk: Difference between revisions

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-'''Unreleased structure'''
-The entry 6agk is ON HOLD  until Paper Publication
+==The structure of CH-II-77-tubulin complex==
+<StructureSection load='6agk' size='340' side='right'caption='[[6agk]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6agk]] 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], [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AGK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6AGK 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]] 2.8&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9WR:[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone'>9WR</scene>, <scene name='pdbligand=ACP:PHOSPHOMETHYLPHOSPHONIC+ACID+ADENYLATE+ESTER'>ACP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GDP:GUANOSINE-5-DIPHOSPHATE'>GDP</scene>, <scene name='pdbligand=GTP:GUANOSINE-5-TRIPHOSPHATE'>GTP</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=6agk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6agk OCA], [https://pdbe.org/6agk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6agk RCSB], [https://www.ebi.ac.uk/pdbsum/6agk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6agk ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/TBA1B_PIG TBA1B_PIG] Tubulin is the major constituent of microtubules. It binds two moles of GTP, one at an exchangeable site on the beta chain and one at a non-exchangeable site on the alpha chain.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+We recently reported the crystal structure of tubulin in complex with a colchicine binding site inhibitor (CBSI), ABI-231, having 2-aryl-4-benzoyl-imidazole (ABI). Based on this and additional crystal structures, here we report the structure-activity relationship study of a novel series of pyridine analogues of ABI-231, with compound 4v being the most potent one (average IC50 approximately 1.8 nM) against a panel of cancer cell lines. We determined the crystal structures of another potent CBSI ABI-274 and 4v in complex with tubulin and confirmed their direct binding at the colchicine site. 4v inhibited tubulin polymerization, strongly suppressed A375 melanoma tumor growth, induced tumor necrosis, disrupted tumor angiogenesis, and led to tumor cell apoptosis in vivo. Collectively, these studies suggest that 4v represents a promising new generation of tubulin inhibitors.
-Authors: Chen, H., Arnst, K., Wang, Y., Miller, D., Li, W.
+Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.,Chen H, Deng S, Wang Y, Albadari N, Kumar G, Ma D, Li W, White SW, Miller DD, Li W J Med Chem. 2020 Jan 23;63(2):827-846. doi: 10.1021/acs.jmedchem.9b01815. Epub, 2020 Jan 7. PMID:31860298<ref>PMID:31860298</ref>
-Description: The structure of CH-II-77-tubulin complex
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Wang, Y]]
+<div class="pdbe-citations 6agk" style="background-color:#fffaf0;"></div>
-[[Category: Arnst, K]]
-[[Category: Li, W]]
+==See Also==
-[[Category: Chen, H]]
+*[[Stathmin-4 3D structures|Stathmin-4 3D structures]]
-[[Category: Miller, D]]
+*[[Tubulin 3D Structures|Tubulin 3D Structures]]
+*[[Tubulin tyrosine ligase|Tubulin tyrosine ligase]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Bos taurus]]
+[[Category: Gallus gallus]]
+[[Category: Large Structures]]
+[[Category: Rattus norvegicus]]
+[[Category: Sus scrofa]]
+[[Category: Arnst K]]
+[[Category: Chen H]]
+[[Category: Li W]]
+[[Category: Miller D]]
+[[Category: Wang Y]]