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T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility.

Borbulevych OY, Piepenbrink KH, Gloor BE, Scott DR, Sommese RF, Cole DK, Sewell AK, Baker BM
Immunity 31 885-96 (2009)
Related entries: 3h7b, 3h9h, 3h9s

Cited: 131 times
EuropePMC logo PMID: 20064447

Abstract

T cell-mediated immunity requires T cell receptor (TCR) cross-reactivity, the mechanisms behind which remain incompletely elucidated. The alphabeta TCR A6 recognizes both the Tax (LLFGYPVYV) and Tel1p (MLWGYLQYV) peptides presented by the human class I MHC molecule HLA-A2. Here we found that although the two ligands are ideal structural mimics, they form substantially different interfaces with A6, with conformational differences in the peptide, the TCR, and unexpectedly, the MHC molecule. The differences between the Tax and Tel1p ternary complexes could not be predicted from the free peptide-MHC structures and are inconsistent with a traditional induced-fit mechanism. Instead, the differences were attributable to peptide and MHC molecular motion present in Tel1p-HLA-A2 but absent in Tax-HLA-A2. Differential "tuning" of the dynamic properties of HLA-A2 by the Tax and Tel1p peptides thus facilitates cross-recognition and impacts how structural diversity can be presented to and accommodated by receptors of the immune system.

Articles - 3ixa mentioned but not cited (4)

  1. T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility. Borbulevych OY, Piepenbrink KH, Gloor BE, Scott DR, Sommese RF, Cole DK, Sewell AK, Baker BM. Immunity 31 885-896 (2009)
  2. Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8+ T cell epitope. Song I, Gil A, Mishra R, Ghersi D, Selin LK, Stern LJ. Nat Struct Mol Biol 24 395-406 (2017)
  3. Differential geometric analysis of alterations in MH α-helices. Hischenhuber B, Havlicek H, Todoric J, Höllrigl-Binder S, Schreiner W, Knapp B. J Comput Chem 34 1862-1879 (2013)
  4. Studies of Antimicrobial Activities of some 4-Thiazolidinone Fused Pyrimidines, [1,5]-Benzodiazepines and their Oxygen Substituted Hydroxylamine Derivatives. Singh B, Maheshwari A, Dak G, Sharma K, Talesara GL. Indian J Pharm Sci 72 607-612 (2010)


Reviews citing this publication (33)

  1. T cell antigen receptor recognition of antigen-presenting molecules. Rossjohn J, Gras S, Miles JJ, Turner SJ, Godfrey DI, McCluskey J. Annu Rev Immunol 33 169-200 (2015)
  2. Why must T cells be cross-reactive? Sewell AK. Nat Rev Immunol 12 669-677 (2012)
  3. Understanding the drivers of MHC restriction of T cell receptors. La Gruta NL, Gras S, Daley SR, Thomas PG, Rossjohn J. Nat Rev Immunol 18 467-478 (2018)
  4. Structural and biophysical determinants of αβ T-cell antigen recognition. Bridgeman JS, Sewell AK, Miles JJ, Price DA, Cole DK. Immunology 135 9-18 (2012)
  5. A structural voyage toward an understanding of the MHC-I-restricted immune response: lessons learned and much to be learned. Gras S, Burrows SR, Turner SJ, Sewell AK, McCluskey J, Rossjohn J. Immunol Rev 250 61-81 (2012)
  6. Structural and dynamic control of T-cell receptor specificity, cross-reactivity, and binding mechanism. Baker BM, Scott DR, Blevins SJ, Hawse WF. Immunol Rev 250 10-31 (2012)
  7. Cross-reactivity of T cells and its role in the immune system. Petrova G, Ferrante A, Gorski J. Crit Rev Immunol 32 349-372 (2012)
  8. TCR cross-reactivity and allorecognition: new insights into the immunogenetics of allorecognition. D'Orsogna LJ, Roelen DL, Doxiadis II, Claas FH. Immunogenetics 64 77-85 (2012)
  9. The structural bases of direct T-cell allorecognition: implications for T-cell-mediated transplant rejection. Gras S, Kjer-Nielsen L, Chen Z, Rossjohn J, McCluskey J. Immunol Cell Biol 89 388-395 (2011)
  10. The molecular determinants of CD8 co-receptor function. Cole DK, Laugel B, Clement M, Price DA, Wooldridge L, Sewell AK. Immunology 137 139-148 (2012)
  11. Proofreading of Peptide-MHC Complexes through Dynamic Multivalent Interactions. Thomas C, Tampé R. Front Immunol 8 65 (2017)
  12. Understanding the complexity and malleability of T-cell recognition. Miles JJ, McCluskey J, Rossjohn J, Gras S. Immunol Cell Biol 93 433-441 (2015)
  13. Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings. Ayres CM, Corcelli SA, Baker BM. Front Immunol 8 935 (2017)
  14. Understanding the structural dynamics of TCR-pMHC complex interactions. Kass I, Buckle AM, Borg NA. Trends Immunol 35 604-612 (2014)
  15. Revival of the identification of cytotoxic T-lymphocyte epitopes for immunological diagnosis, therapy and vaccine development. Liu J, Zhang S, Tan S, Zheng B, Gao GF. Exp Biol Med (Maywood) 236 253-267 (2011)
  16. Predicting Cross-Reactivity and Antigen Specificity of T Cell Receptors. Lee CH, Salio M, Napolitani G, Ogg G, Simmons A, Koohy H. Front Immunol 11 565096 (2020)
  17. Recent advances in Major Histocompatibility Complex (MHC) class I antigen presentation: Plastic MHC molecules and TAPBPR-mediated quality control. van Hateren A, Bailey A, Elliott T. F1000Res 6 158 (2017)
  18. Generation of MHC class II-peptide ligands for CD4 T-cell allorecognition of MHC class II molecules. Leddon SA, Sant AJ. Curr Opin Organ Transplant 15 505-511 (2010)
  19. The versatility of the αβ T-cell antigen receptor. Bhati M, Cole DK, McCluskey J, Sewell AK, Rossjohn J. Protein Sci 23 260-272 (2014)
  20. Minor histocompatibility antigens: presentation principles, recognition logic and the potential for a healing hand. Spencer CT, Gilchuk P, Dragovic SM, Joyce S. Curr Opin Organ Transplant 15 512-525 (2010)
  21. Integrating Experiment and Theory to Understand TCR-pMHC Dynamics. Buckle AM, Borg NA. Front Immunol 9 2898 (2018)
  22. Dynamic interplay between viral adaptation and immune recognition during HIV-1 infection. Motozono C, Mwimanzi P, Ueno T. Protein Cell 1 514-519 (2010)
  23. Dynamics of MHC-I molecules in the antigen processing and presentation pathway. Truong HV, Sgourakis NG. Curr Opin Immunol 70 122-128 (2021)
  24. Immunological Mechanisms of Metal Allergies and the Nickel-Specific TCR-pMHC Interface. Riedel F, Aparicio-Soto M, Curato C, Thierse HJ, Siewert K, Luch A. Int J Environ Res Public Health 18 10867 (2021)
  25. Adaptability in protein structures: structural dynamics and implications in ligand design. Maity A, Majumdar S, Priya P, De P, Saha S, Ghosh Dastidar S. J Biomol Struct Dyn 33 298-321 (2015)
  26. Mechanistic diversity in MHC class I antigen recognition. Barbosa CRR, Barton J, Shepherd AJ, Mishto M. Biochem J 478 4187-4202 (2021)
  27. Specificity of Adaptive Immune Responses in Central Nervous System Health, Aging and Diseases. Rickenbach C, Gericke C. Front Neurosci 15 806260 (2021)
  28. T-cell-receptor cross-recognition and strategies to select safe T-cell receptors for clinical translation. Bentzen AK, Hadrup SR. Immunooncol Technol 2 1-10 (2019)
  29. Peptide-dependent tuning of major histocompatibility complex motional properties and the consequences for cellular immunity. Ayres CM, Baker BM. Curr Opin Immunol 76 102184 (2022)
  30. Non-mutational neoantigens in disease. Stern LJ, Clement C, Galluzzi L, Santambrogio L. Nat Immunol 25 29-40 (2024)
  31. Quantitative approaches for decoding the specificity of the human T cell repertoire. Ghoreyshi ZS, George JT. Front Immunol 14 1228873 (2023)
  32. Tacrolimus treatment in women with repeated implantation failures. Nakagawa K, Sugiyama R. Reprod Med Biol 23 e12558 (2024)
  33. The good and the bad of T cell cross-reactivity: challenges and opportunities for novel therapeutics in autoimmunity and cancer. Gouttefangeas C, Klein R, Maia A. Front Immunol 14 1212546 (2023)

Articles citing this publication (94)

  1. SARS-CoV-2-derived peptides define heterologous and COVID-19-induced T cell recognition. Nelde A, Bilich T, Heitmann JS, Maringer Y, Salih HR, Roerden M, Lübke M, Bauer J, Rieth J, Wacker M, Peter A, Hörber S, Traenkle B, Kaiser PD, Rothbauer U, Becker M, Junker D, Krause G, Strengert M, Schneiderhan-Marra N, Templin MF, Joos TO, Kowalewski DJ, Stos-Zweifel V, Fehr M, Rabsteyn A, Mirakaj V, Karbach J, Jäger E, Graf M, Gruber LC, Rachfalski D, Preuß B, Hagelstein I, Märklin M, Bakchoul T, Gouttefangeas C, Kohlbacher O, Klein R, Stevanović S, Rammensee HG, Walz JS. Nat Immunol 22 74-85 (2021)
  2. T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Adams JJ, Narayanan S, Liu B, Birnbaum ME, Kruse AC, Bowerman NA, Chen W, Levin AM, Connolly JM, Zhu C, Kranz DM, Garcia KC. Immunity 35 681-693 (2011)
  3. Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes. Bulek AM, Cole DK, Skowera A, Dolton G, Gras S, Madura F, Fuller A, Miles JJ, Gostick E, Price DA, Drijfhout JW, Knight RR, Huang GC, Lissin N, Molloy PE, Wooldridge L, Jakobsen BK, Rossjohn J, Peakman M, Rizkallah PJ, Sewell AK. Nat Immunol 13 283-289 (2012)
  4. TCRs used in cancer gene therapy cross-react with MART-1/Melan-A tumor antigens via distinct mechanisms. Borbulevych OY, Santhanagopolan SM, Hossain M, Baker BM. J Immunol 187 2453-2463 (2011)
  5. Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. Cole DK, Bulek AM, Dolton G, Schauenberg AJ, Szomolay B, Rittase W, Trimby A, Jothikumar P, Fuller A, Skowera A, Rossjohn J, Zhu C, Miles JJ, Peakman M, Wooldridge L, Rizkallah PJ, Sewell AK. J Clin Invest 126 2191-2204 (2016)
  6. Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Aspeslagh S, Li Y, Yu ED, Pauwels N, Trappeniers M, Girardi E, Decruy T, Van Beneden K, Venken K, Drennan M, Leybaert L, Wang J, Franck RW, Van Calenbergh S, Zajonc DM, Elewaut D. EMBO J 30 2294-2305 (2011)
  7. Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Adams JJ, Narayanan S, Birnbaum ME, Sidhu SS, Blevins SJ, Gee MH, Sibener LV, Baker BM, Kranz DM, Garcia KC. Nat Immunol 17 87-94 (2016)
  8. Evolving concepts of specificity in immune reactions. Eisen HN, Chakraborty AK. Proc Natl Acad Sci U S A 107 22373-22380 (2010)
  9. Dynamical characterization of two differentially disease associated MHC class I proteins in complex with viral and self-peptides. Narzi D, Becker CM, Fiorillo MT, Uchanska-Ziegler B, Ziegler A, Böckmann RA. J Mol Biol 415 429-442 (2012)
  10. Computational design of the affinity and specificity of a therapeutic T cell receptor. Pierce BG, Hellman LM, Hossain M, Singh NK, Vander Kooi CW, Weng Z, Baker BM. PLoS Comput Biol 10 e1003478 (2014)
  11. Conformational melding permits a conserved binding geometry in TCR recognition of foreign and self molecular mimics. Borbulevych OY, Piepenbrink KH, Baker BM. J Immunol 186 2950-2958 (2011)
  12. The multiple mechanisms of T cell receptor cross-reactivity. Yin Y, Mariuzza RA. Immunity 31 849-851 (2009)
  13. Disparate degrees of hypervariable loop flexibility control T-cell receptor cross-reactivity, specificity, and binding mechanism. Scott DR, Borbulevych OY, Piepenbrink KH, Corcelli SA, Baker BM. J Mol Biol 414 385-400 (2011)
  14. A flexible docking approach for prediction of T cell receptor-peptide-MHC complexes. Pierce BG, Weng Z. Protein Sci 22 35-46 (2013)
  15. Allo-HLA-reactive T cells inducing graft-versus-host disease are single peptide specific. Amir AL, van der Steen DM, Hagedoorn RS, Kester MG, van Bergen CA, Drijfhout JW, de Ru AH, Falkenburg JH, van Veelen PA, Heemskerk MH. Blood 118 6733-6742 (2011)
  16. Selector function of MHC I molecules is determined by protein plasticity. Bailey A, Dalchau N, Carter R, Emmott S, Phillips A, Werner JM, Elliott T. Sci Rep 5 14928 (2015)
  17. TCR scanning of peptide/MHC through complementary matching of receptor and ligand molecular flexibility. Hawse WF, De S, Greenwood AI, Nicholson LK, Zajicek J, Kovrigin EL, Kranz DM, Garcia KC, Baker BM. J Immunol 192 2885-2891 (2014)
  18. T cell receptor cross-reactivity expanded by dramatic peptide-MHC adaptability. Riley TP, Hellman LM, Gee MH, Mendoza JL, Alonso JA, Foley KC, Nishimura MI, Vander Kooi CW, Garcia KC, Baker BM. Nat Chem Biol 14 934-942 (2018)
  19. Peptide modulation of class I major histocompatibility complex protein molecular flexibility and the implications for immune recognition. Hawse WF, Gloor BE, Ayres CM, Kho K, Nuter E, Baker BM. J Biol Chem 288 24372-24381 (2013)
  20. Structural reorganization of the antigen-binding groove of human CD1b for presentation of mycobacterial sulfoglycolipids. Garcia-Alles LF, Collmann A, Versluis C, Lindner B, Guiard J, Maveyraud L, Huc E, Im JS, Sansano S, Brando T, Julien S, Prandi J, Gilleron M, Porcelli SA, de la Salle H, Heck AJ, Mori L, Puzo G, Mourey L, De Libero G. Proc Natl Acad Sci U S A 108 17755-17760 (2011)
  21. Epitope flexibility and dynamic footprint revealed by molecular dynamics of a pMHC-TCR complex. Reboul CF, Meyer GR, Porebski BT, Borg NA, Buckle AM. PLoS Comput Biol 8 e1002404 (2012)
  22. Loss of T cell antigen recognition arising from changes in peptide and major histocompatibility complex protein flexibility: implications for vaccine design. Insaidoo FK, Borbulevych OY, Hossain M, Santhanagopolan SM, Baxter TK, Baker BM. J Biol Chem 286 40163-40173 (2011)
  23. Structural insights into estrogen receptor α methylation by histone methyltransferase SMYD2, a cellular event implicated in estrogen signaling regulation. Jiang Y, Trescott L, Holcomb J, Zhang X, Brunzelle J, Sirinupong N, Shi X, Yang Z. J Mol Biol 426 3413-3425 (2014)
  24. Structure of a TCR-Mimic Antibody with Target Predicts Pharmacogenetics. Ataie N, Xiang J, Cheng N, Brea EJ, Lu W, Scheinberg DA, Liu C, Ng HL. J Mol Biol 428 194-205 (2016)
  25. Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. Liu WJ, Lan J, Liu K, Deng Y, Yao Y, Wu S, Chen H, Bao L, Zhang H, Zhao M, Wang Q, Han L, Chai Y, Qi J, Zhao J, Meng S, Qin C, Gao GF, Tan W. J Immunol 198 873-882 (2017)
  26. The basis for limited specificity and MHC restriction in a T cell receptor interface. Piepenbrink KH, Blevins SJ, Scott DR, Baker BM. Nat Commun 4 1948 (2013)
  27. ATLAS: A database linking binding affinities with structures for wild-type and mutant TCR-pMHC complexes. Borrman T, Cimons J, Cosiano M, Purcaro M, Pierce BG, Baker BM, Weng Z. Proteins 85 908-916 (2017)
  28. How T cell receptors interact with peptide-MHCs: a multiple steered molecular dynamics study. Cuendet MA, Zoete V, Michielin O. Proteins 79 3007-3024 (2011)
  29. Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop. Sethi DK, Gordo S, Schubert DA, Wucherpfennig KW. Nat Commun 4 2623 (2013)
  30. Defining the alloreactive T cell repertoire using high-throughput sequencing of mixed lymphocyte reaction culture. Emerson RO, Mathew JM, Konieczna IM, Robins HS, Leventhal JR. PLoS One 9 e111943 (2014)
  31. Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide. Chan KF, Gully BS, Gras S, Beringer DX, Kjer-Nielsen L, Cebon J, McCluskey J, Chen W, Rossjohn J. Nat Commun 9 1026 (2018)
  32. NMR spectroscopy reveals unexpected structural variation at the protein-protein interface in MHC class I molecules. Beerbaum M, Ballaschk M, Erdmann N, Schnick C, Diehl A, Uchanska-Ziegler B, Ziegler A, Schmieder P. J Biomol NMR 57 167-178 (2013)
  33. Structural and dynamical insights on HLA-DR2 complexes that confer susceptibility to multiple sclerosis in Sardinia: a molecular dynamics simulation study. Kumar A, Cocco E, Atzori L, Marrosu MG, Pieroni E. PLoS One 8 e59711 (2013)
  34. Distortion of the Major Histocompatibility Complex Class I Binding Groove to Accommodate an Insulin-derived 10-Mer Peptide. Motozono C, Pearson JA, De Leenheer E, Rizkallah PJ, Beck K, Trimby A, Sewell AK, Wong FS, Cole DK. J Biol Chem 290 18924-18933 (2015)
  35. Previously Hidden Dynamics at the TCR-Peptide-MHC Interface Revealed. Fodor J, Riley BT, Borg NA, Buckle AM. J Immunol 200 4134-4145 (2018)
  36. Minimal conformational plasticity enables TCR cross-reactivity to different MHC class II heterodimers. Holland CJ, Rizkallah PJ, Vollers S, Calvo-Calle JM, Madura F, Fuller A, Sewell AK, Stern LJ, Godkin A, Cole DK. Sci Rep 2 629 (2012)
  37. Structures of native and affinity-enhanced WT1 epitopes bound to HLA-A*0201: implications for WT1-based cancer therapeutics. Borbulevych OY, Do P, Baker BM. Mol Immunol 47 2519-2524 (2010)
  38. The discriminatory power of the T cell receptor. Pettmann J, Huhn A, Abu Shah E, Kutuzov MA, Wilson DB, Dustin ML, Davis SJ, van der Merwe PA, Dushek O. Elife 10 e67092 (2021)
  39. Dynamically Driven Allostery in MHC Proteins: Peptide-Dependent Tuning of Class I MHC Global Flexibility. Ayres CM, Abualrous ET, Bailey A, Abraham C, Hellman LM, Corcelli SA, Noé F, Elliott T, Baker BM. Front Immunol 10 966 (2019)
  40. A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen. Bianchi V, Bulek A, Fuller A, Lloyd A, Attaf M, Rizkallah PJ, Dolton G, Sewell AK, Cole DK. J Biol Chem 291 8951-8959 (2016)
  41. Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Zhao M, Liu K, Luo J, Tan S, Quan C, Zhang S, Chai Y, Qi J, Li Y, Bi Y, Xiao H, Wong G, Zhou J, Jiang T, Liu W, Yu H, Yan J, Liu Y, Shu Y, Wu G, Wu A, Gao GF, Liu WJ. mBio 9 e01408-18 (2018)
  42. TCR-mimic bispecific antibodies targeting LMP2A show potent activity against EBV malignancies. Ahmed M, Lopez-Albaitero A, Pankov D, Santich BH, Liu H, Yan S, Xiang J, Wang P, Hasan AN, Selvakumar A, O'Reilly RJ, Liu C, Cheung NV. JCI Insight 3 97805 (2018)
  43. An Engineered Switch in T Cell Receptor Specificity Leads to an Unusual but Functional Binding Geometry. Harris DT, Singh NK, Cai Q, Smith SN, Vander Kooi C, Procko E, Kranz DM, Baker BM. Structure 24 1142-1154 (2016)
  44. A generalized framework for computational design and mutational scanning of T-cell receptor binding interfaces. Riley TP, Ayres CM, Hellman LM, Singh NK, Cosiano M, Cimons JM, Anderson MJ, Piepenbrink KH, Pierce BG, Weng Z, Baker BM. Protein Eng Des Sel 29 595-606 (2016)
  45. Disparate epitopes mediating protective heterologous immunity to unrelated viruses share peptide-MHC structural features recognized by cross-reactive T cells. Shen ZT, Nguyen TT, Daniels KA, Welsh RM, Stern LJ. J Immunol 191 5139-5152 (2013)
  46. Changing the peptide specificity of a human T-cell receptor by directed evolution. Smith SN, Wang Y, Baylon JL, Singh NK, Baker BM, Tajkhorshid E, Kranz DM. Nat Commun 5 5223 (2014)
  47. Differential utilization of binding loop flexibility in T cell receptor ligand selection and cross-reactivity. Ayres CM, Scott DR, Corcelli SA, Baker BM. Sci Rep 6 25070 (2016)
  48. Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides. Liang R, Sun Y, Liu Y, Wang J, Wu Y, Li Z, Ma L, Zhang N, Zhang L, Wei X, Qu Z, Zhang N, Xia C. J Virol 92 e01631-17 (2018)
  49. TCR-induced alteration of primary MHC peptide anchor residue. Madura F, Rizkallah PJ, Legut M, Holland CJ, Fuller A, Bulek A, Schauenburg AJ, Trimby A, Hopkins JR, Wells SA, Godkin A, Miles JJ, Sami M, Li Y, Liddy N, Jakobsen BK, Loveridge EJ, Cole DK, Sewell AK. Eur J Immunol 49 1052-1066 (2019)
  50. Using Global Analysis to Extend the Accuracy and Precision of Binding Measurements with T cell Receptors and Their Peptide/MHC Ligands. Blevins SJ, Baker BM. Front Mol Biosci 4 2 (2017)
  51. Identification of the Targets of T-cell Receptor Therapeutic Agents and Cells by Use of a High-Throughput Genetic Platform. Gejman RS, Jones HF, Klatt MG, Chang AY, Oh CY, Chandran SS, Korontsvit T, Zakahleva V, Dao T, Klebanoff CA, Scheinberg DA. Cancer Immunol Res 8 672-684 (2020)
  52. Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops. Scott DR, Vardeman CF, Corcelli SA, Baker BM. Biophys J 103 2532-2540 (2012)
  53. The Structure of the MHC Class I Molecule of Bony Fishes Provides Insights into the Conserved Nature of the Antigen-Presenting System. Chen Z, Zhang N, Qi J, Chen R, Dijkstra JM, Li X, Wang Z, Wang J, Wu Y, Xia C. J Immunol 199 3668-3678 (2017)
  54. The complex and specific pMHC interactions with diverse HIV-1 TCR clonotypes reveal a structural basis for alterations in CTL function. Xia Z, Chen H, Kang SG, Huynh T, Fang JW, Lamothe PA, Walker BD, Zhou R. Sci Rep 4 4087 (2014)
  55. The effect of mutations on the alloreactive T cell receptor/peptide-MHC interface structure: a molecular dynamics study. Wolfson MY, Nam K, Chakraborty AK. J Phys Chem B 115 8317-8327 (2011)
  56. Bispecificity for myelin and neuronal self-antigens is a common feature of CD4 T cells in C57BL/6 mice. Lucca LE, Desbois S, Ramadan A, Ben-Nun A, Eisenstein M, Carrié N, Guéry JC, Sette A, Nguyen P, Geiger TL, Mars LT, Liblau RS. J Immunol 193 3267-3277 (2014)
  57. Insights into the structure of the LC13 TCR/HLA-B8-EBV peptide complex with molecular dynamics simulations. Stavrakoudis A. Cell Biochem Biophys 60 283-295 (2011)
  58. Dynamical footprint of cross-reactivity in a human autoimmune T-cell receptor. Kumar A, Delogu F. Sci Rep 7 42496 (2017)
  59. T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4. Coles CH, McMurran C, Lloyd A, Hock M, Hibbert L, Raman MCC, Hayes C, Lupardus P, Cole DK, Harper S. J Biol Chem 295 11486-11494 (2020)
  60. Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes. Niu L, Cheng H, Zhang S, Tan S, Zhang Y, Qi J, Liu J, Gao GF. Mol Immunol 55 381-392 (2013)
  61. Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner. Smith AR, Alonso JA, Ayres CM, Singh NK, Hellman LM, Baker BM. Proc Natl Acad Sci U S A 118 e2018125118 (2021)
  62. Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Allerbring EB, Duru AD, Uchtenhagen H, Madhurantakam C, Tomek MB, Grimm S, Mazumdar PA, Friemann R, Uhlin M, Sandalova T, Nygren PÅ, Achour A. Eur J Immunol 42 2990-3000 (2012)
  63. Crystal structures of HLA-A*0201 complexed with Melan-A/MART-1(26(27L)-35) peptidomimetics reveal conformational heterogeneity and highlight degeneracy of T cell recognition. Douat-Casassus C, Borbulevych O, Tarbe M, Gervois N, Jotereau F, Baker BM, Quideau S. J Med Chem 53 7061-7066 (2010)
  64. Durable spike-specific T cell responses after different COVID-19 vaccination regimens are not further enhanced by booster vaccination. Maringer Y, Nelde A, Schroeder SM, Schuhmacher J, Hörber S, Peter A, Karbach J, Jäger E, Walz JS. Sci Immunol 7 eadd3899 (2022)
  65. Energetic and flexibility properties captured by long molecular dynamics simulations of a membrane-embedded pMHCII-TCR complex. Bello M, Correa-Basurto J. Mol Biosyst 12 1350-1366 (2016)
  66. Enzymatic discovery of a HER-2/neu epitope that generates cross-reactive T cells. Henle AM, Erskine CL, Benson LM, Clynes R, Knutson KL. J Immunol 190 479-488 (2013)
  67. New conformational state of NHERF1-CXCR2 signaling complex captured by crystal lattice trapping. Jiang Y, Lu G, Trescott LR, Hou Y, Guan X, Wang S, Stamenkovich A, Brunzelle J, Sirinupong N, Li C, Yang Z. PLoS One 8 e81904 (2013)
  68. Single-molecule motions of MHC class II rely on bound peptides. Kozono H, Matsushita Y, Ogawa N, Kozono Y, Miyabe T, Sekiguchi H, Ichiyanagi K, Okimoto N, Taiji M, Kanagawa O, Sasaki YC. Biophys J 108 350-359 (2015)
  69. Structure and Function of HLA-A*02-Restricted Hantaan Virus Cytotoxic T-Cell Epitope That Mediates Effective Protective Responses in HLA-A2.1/K(b) Transgenic Mice. Ma Y, Cheng L, Yuan B, Zhang Y, Zhang C, Zhang Y, Tang K, Zhuang R, Chen L, Yang K, Zhang F, Jin B. Front Immunol 7 298 (2016)
  70. The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability. Hafstrand I, Doorduijn EM, Sun R, Talyzina A, Sluijter M, Pellegrino S, Sandalova T, Duru AD, van Hall T, Achour A. J Immunol 200 2860-2868 (2018)
  71. A Glimpse of the Peptide Profile Presentation by Xenopus laevis MHC Class I: Crystal Structure of pXela-UAA Reveals a Distinct Peptide-Binding Groove. Ma L, Zhang N, Qu Z, Liang R, Zhang L, Zhang B, Meng G, Dijkstra JM, Li S, Xia MC. J Immunol 204 147-158 (2020)
  72. Bi-specific MHC heterodimers for characterization of cross-reactive T cells. Shen ZT, Brehm MA, Daniels KA, Sigalov AB, Selin LK, Welsh RM, Stern LJ. J Biol Chem 285 33144-33153 (2010)
  73. DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles. Hoffmann T, Marion A, Antes I. BMC Struct Biol 17 2 (2017)
  74. High-throughput modeling and scoring of TCR-pMHC complexes to predict cross-reactive peptides. Borrman T, Pierce BG, Vreven T, Baker BM, Weng Z. Bioinformatics 36 5377-5385 (2021)
  75. Peptide cargo tunes a network of correlated motions in human leucocyte antigens. Hopkins JR, Crean RM, Catici DAM, Sewell AK, Arcus VL, Van der Kamp MW, Cole DK, Pudney CR. FEBS J 287 3777-3793 (2020)
  76. Tacrolimus treatment for infertility related to maternal-fetal immune interactions. Yamaguchi K. Am J Reprod Immunol 81 e13097 (2019)
  77. Dual HLA B*42 and B*81-reactive T cell receptors recognize more diverse HIV-1 Gag escape variants. Ogunshola F, Anmole G, Miller RL, Goering E, Nkosi T, Muema D, Mann J, Ismail N, Chopera D, Ndung'u T, Brockman MA, Ndhlovu ZM. Nat Commun 9 5023 (2018)
  78. The Hypervariable Loops of Free TCRs Sample Multiple Distinct Metastable Conformations in Solution. Crooks JE, Boughter CT, Scott LR, Adams EJ. Front Mol Biosci 5 95 (2018)
  79. Enhancement of a Heroin Vaccine through Hapten Deuteration. Belz TF, Bremer PT, Zhou B, Ellis B, Eubanks LM, Janda KD. J Am Chem Soc 142 13294-13298 (2020)
  80. MHC Restriction: Where Are We Now? Zareie P, Farenc C, La Gruta NL. Viral Immunol 33 179-187 (2020)
  81. Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes. Walters LC, Rozbesky D, Harlos K, Quastel M, Sun H, Springer S, Rambo RP, Mohammed F, Jones EY, McMichael AJ, Gillespie GM. Cell Rep 39 110959 (2022)
  82. Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner. Ji W, Niu L, Peng W, Zhang Y, Cheng H, Gao F, Shi Y, Qi J, Gao GF, Liu WJ. Mol Immunol 112 274-282 (2019)
  83. Structure-Based Modeling of SARS-CoV-2 Peptide/HLA-A02 Antigens. Nerli S, Sgourakis NG. Front Med Technol 2 553478 (2020)
  84. A novel HLA-A*31 allele, A*31:34, identified by sequence-based typing. Ko SY, Oh HB, Heo YS, Jun JH, Kwon OJ. Tissue Antigens 77 80-81 (2011)
  85. Conserved biophysical compatibility among the highly variable germline-encoded regions shapes TCR-MHC interactions. Boughter CT, Meier-Schellersheim M. Elife 12 e90681 (2023)
  86. Design, synthesis and evaluation of β-lactam antigenic peptide hybrids; unusual opening of the β-lactam ring in acidic media. Tarbe M, Azcune I, Balentová E, Miles JJ, Edwards EE, Miles KM, Do P, Baker BM, Sewell AK, Aizpurua JM, Douat-Casassus C, Quideau S. Org Biomol Chem 8 5345-5353 (2010)
  87. Dynamic allostery controls the peptide sensitivity of the Ly49C natural killer receptor. Ma J, Ayres CM, Hellman LM, Devlin JR, Baker BM. J Biol Chem 296 100686 (2021)
  88. HLA-C*03:93, a novel HLA-C*03 allele identified by sequence-based typing. Cha CH, Ko SY, Oh HB, Heo YS, Kwon OJ. Tissue Antigens 77 266-267 (2011)
  89. Intramolecular Domain Movements of Free and Bound pMHC and TCR Proteins: A Molecular Dynamics Simulation Study. Karch R, Stocsits C, Ilieva N, Schreiner W. Cells 8 E720 (2019)
  90. The Dynamics of the Human Leukocyte Antigen Head Domain Modulates Its Recognition by the T-Cell Receptor. García-Guerrero E, Pérez-Simón JA, Sánchez-Abarca LI, Díaz-Moreno I, De la Rosa MA, Díaz-Quintana A. PLoS One 11 e0154219 (2016)
  91. Machine-Learning-Assisted Analysis of TCR Profiling Data Unveils Cross-Reactivity between SARS-CoV-2 and a Wide Spectrum of Pathogens and Other Diseases. Georgakilas GK, Galanopoulos AP, Tsinaris Z, Kyritsi M, Mouchtouri VA, Speletas M, Hadjichristodoulou C. Biology (Basel) 11 1531 (2022)
  92. Structural and Mechanistic Implications of Rearrangement Frequencies within Human TCRBV Genes. Yassai MB, Demos W, Gorski J. J Immunol 199 1142-1152 (2017)
  93. Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. Ciacchi L, Farenc C, Dahal-Koirala S, Petersen J, Sollid LM, Reid HH, Rossjohn J. J Biol Chem 298 101619 (2022)
  94. Structural plasticity in I-Ag7 links autoreactivity to hybrid insulin peptides in type I diabetes. Erausquin E, Serra P, Parras D, Santamaria P, López-Sagaseta J. Front Immunol 13 924311 (2022)


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