6mj4

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'''Unreleased structure'''
 
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The entry 6mj4 is ON HOLD until Paper Publication
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==Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)==
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<StructureSection load='6mj4' size='340' side='right' caption='[[6mj4]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[6mj4]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6MJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6MJ4 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=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JTG:N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide'>JTG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></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=6mj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mj4 OCA], [http://pdbe.org/6mj4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6mj4 RCSB], [http://www.ebi.ac.uk/pdbsum/6mj4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6mj4 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/B2MG_MOUSE B2MG_MOUSE]] Component of the class I major histocompatibility complex (MHC). Involved in the presentation of peptide antigens to the immune system.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Invariant natural killer T-cells (iNKT) are a glycolipid-responsive subset of T-lymphocytes that fulfill a pivotal role in the immune system. The archetypical synthetic glycolipid, alpha-galactosylceramide (alpha-GalCer), whose molecular framework is inspired by a group of amphiphilic natural products, remains the most studied antigen for iNKT-cells. Nonetheless, the potential of alpha-GalCer as an immunostimulating agent is compromised by the fact that this glycolipid elicits simultaneous secretion of Th1- and Th2-cytokines. This has incited medicinal chemistry efforts to identify analogues that are able to perturb the Th1/Th2 balance. In this work, we present the synthesis of an extensive set of 4"-O-alkylated alpha-GalCer analogues, which were evaluated in vivo for their cytokine induction. We have found that conversion of the 4"-OH group to ether moieties decreases the immunogenic potential in mice relative to alpha-GalCer. Yet, the benzyl-modified glycolipids are able to produce a distinct pro-inflammatory immune response. The crystal structures suggest an extra hydrophobic interaction between the benzyl moiety and the alpha2-helix of CD1d.
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Authors: Zajonc, D.M., Bitra, A., Janssens, J.
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4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.,Janssens J, Bitra A, Wang J, Decruy T, Venken K, van der Eycken J, Elewaut D, Zajonc DM, van Calenbergh S ChemMedChem. 2019 Jan 8;14(1):147-168. doi: 10.1002/cmdc.201800649. Epub 2018 Dec, 17. PMID:30556652<ref>PMID:30556652</ref>
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Description: Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Janssens, J]]
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<div class="pdbe-citations 6mj4" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Bitra, A]]
[[Category: Bitra, A]]
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[[Category: Zajonc, D.M]]
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[[Category: Janssens, J]]
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[[Category: Zajonc, D M]]
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[[Category: Glycolipid antigen presentation]]
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[[Category: Ig-fold]]
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[[Category: Immune system]]
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[[Category: Mhc-fold]]
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[[Category: T cell receptor]]

Revision as of 06:38, 9 January 2019

Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)

6mj4, resolution 2.00Å

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