5ctc

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'''Unreleased structure'''
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==Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate==
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<StructureSection load='5ctc' size='340' side='right' caption='[[5ctc]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5ctc]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CTC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CTC FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=57K:TERT-BUTYL+7-[(7-METHYL-1H-INDAZOL-5-YL)CARBONYL]-2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE'>57K</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ctb|5ctb]], [[5cte|5cte]]</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ctc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ctc OCA], [http://pdbe.org/5ctc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ctc RCSB], [http://www.ebi.ac.uk/pdbsum/5ctc PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/ACAC_YEAST ACAC_YEAST]] Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase. Involved in the synthesis of very-long-chain fatty acid synthesis which is required to maintain a functional nuclear envelope. Required for acylation and vacuolar membrane association of VAC8 which is necessary to maintain a normal morphology of the vacuole.<ref>PMID:6108218</ref> <ref>PMID:6103540</ref> <ref>PMID:8943372</ref> <ref>PMID:10757783</ref> <ref>PMID:12730220</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A novel series of spirocyclic-diamine based, isoform non-selective inhibitors of acetyl-CoA carboxylase (ACC) is described. These spirodiamine derivatives were discovered by design of a library to mimic the structural rigidity and hydrogen-bonding pattern observed in the co-crystal structure of spirochromanone inhibitor I. The lead compound 3.5.1 inhibited de novo lipogenesis in rat hepatocytes, with an IC50 of 0.30muM.
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The entry 5ctc is ON HOLD
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Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.,Kung DW, Griffith DA, Esler WP, Vajdos FF, Mathiowetz AM, Doran SD, Amor PA, Bagley SW, Banks T, Cabral S, Ford K, Garcia-Irizarry CN, Landis MS, Loomis K, McPherson K, Niosi M, Rockwell KL, Rose C, Smith AC, Southers JA, Tapley S, Tu M, Valentine JJ Bioorg Med Chem Lett. 2015 Sep 15. pii: S0960-894X(15)30067-6. doi:, 10.1016/j.bmcl.2015.09.035. PMID:26411795<ref>PMID:26411795</ref>
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Authors: Vajdos, F.F.
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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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Description:
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<div class="pdbe-citations 5ctc" style="background-color:#fffaf0;"></div>
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[[Category: Unreleased Structures]]
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== References ==
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[[Category: Vajdos, F.F]]
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Vajdos, F F]]
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[[Category: Acc]]
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[[Category: Inhibitor]]
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[[Category: Transferase-transferase inhibitor complex]]

Revision as of 03:55, 16 October 2015

Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

5ctc, resolution 2.70Å

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