{"display":true,"structure":{"allele":{"alpha":{"identifier":"ipd-imgt:HLA34202","locus":"hla-e","match_type":"histo:exact","name":"HLA-E*01:03","slug":"hla_e_01_03","species_stem":"hla"},"beta":{}},"assemblies":{"1":{"assembly_name":"6mji_1","chains":["C","D","A","B","E","F"],"downloaded_at":"2022-11-09T14:27:13.178074"}},"assembly_count":null,"assigned_chains":{"beta2m":{"chains":["B"],"match_type":"histo:assign_chains","score":1.0,"sequence":"IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYACRVKHASMAEPKTVYWDRDM"},"cd1d":{"chains":["A"],"match_type":"histo:assign_chains","score":0.97,"sequence":"SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRDIQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATVQMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPNADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH"},"tcr_alpha":{"chains":["C"],"match_type":"stcrdab","sequence":"MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITATLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS","subgroup":"TRAV11"},"tcr_beta":{"chains":["D"],"match_type":"stcrdab","sequence":"MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILELATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRA","subgroup":"TRBV13"}},"chronology":{"deposition_date":"2018-09-20","deposition_year":2018,"release_date":"2019-01-09","release_year":2019,"revision_date":"2020-07-29","revision_year":2020},"class":"class_i","classical":false,"complex_type":"cd1d_with_nkt_alpha_beta_tcr","components":["cd1d","beta2m","tcr_alpha","tcr_beta"],"experimental_method":"X-ray diffraction","facets":{},"ligands":[],"locus":"hla-e","manually_edited":{},"missing_residues":[],"page_title":"6MJI | Non-classical MHC Class I molecule CD1d with Natural Killer Alpha/Beta T cell receptor","pdb_code":"6mji","pdb_title":"Crystal structure of the mCD1d/xxs (jj304) /inkTCR ternary complex","peptide":{"actual_sequence":null,"epitope_info":{},"features":[],"full_sequence":null,"gap_info":{},"gapped_sequence":null,"length":{"numeric":null,"text":null},"unnatural_amino_acids":[]},"publication":{"abstract":"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, \u03b1-galactosylceramide (\u03b1-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 \u03b1-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 \u03b1-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 \u03b1-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 \u03b12-helix of CD1d.","bibjson":{"author":[{"initials":"J","lastname":"Janssens","name":"Janssens J"},{"initials":"A","lastname":"Bitra","name":"Bitra A"},{"initials":"J","lastname":"Wang","name":"Wang J"},{"initials":"T","lastname":"Decruy","name":"Decruy T"},{"initials":"K","lastname":"Venken","name":"Venken K"},{"initials":"J","lastname":"van der Eycken","name":"van der Eycken J"},{"initials":"D","lastname":"Elewaut","name":"Elewaut D"},{"initials":"DM","lastname":"Zajonc","name":"Zajonc DM"},{"initials":"S","lastname":"van Calenbergh","name":"van Calenbergh S"}],"identifier":[{"id":"10.1002/cmdc.201800649","type":"doi"},{"id":"30556652","type":"pubmed"}],"issue":[null],"journal":{"iso_abbreviation":"ChemMedChem","name":""},"pages":[null],"title":"4\"-O-Alkylated \ufffd\ufffd-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.","type":"article","url":"https://onlinelibrary.wiley.com/doi/10.1002/cmdc.201800649","volume":[null],"year":[2018]},"in_pmc":"N","in_pmce":"Y","open_access":"N"},"resolution":"2.30","same_as":{"pdbe":{"url":"https://www.ebi.ac.uk/pdbe/entry/pdb/6mji"},"rcsb":{"url":"https://www.rcsb.org/structure/6mji"},"stcrdab":{"url":"http://opig.stats.ox.ac.uk/webapps/stcrdab/StrViewer?pdb=6mji"}},"species":{"common_name":"Mouse","match_type":"histo:assign_species","scientific_name":"Mus musculus","slug":"mus_musculus"},"tcr":{"alpha":{"chains":["C"],"subgroup":"TRAV11"},"beta":{"chains":["D"],"subgroup":"TRBV13"},"pdb_code":"6mji"},"title":"Non-classical MHC Class I molecule CD1d with Natural Killer Alpha/Beta T cell receptor at 2.30Å resolution","unique_chain_count":4}}