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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. 2012;8(3):e1002404. doi: 10.1371/journal.pcbi.1002404. Epub 2012 Mar 8.


The energetic basis underpinning T-cell receptor recognition of a super-bulged peptide bound to a major histocompatibility complex class I molecule.

Liu YC, Chen Z, Burrows SR, Purcell AW, McCluskey J, Rossjohn J, Gras S.

J Biol Chem. 2012 Apr 6;287(15):12267-76. doi: 10.1074/jbc.M112.344689. Epub 2012 Feb 16.


MPID-T: database for sequence-structure-function information on T-cell receptor/peptide/MHC interactions.

Tong JC, Kong L, Tan TW, Ranganathan S.

Appl Bioinformatics. 2006;5(2):111-4.


Highly divergent T-cell receptor binding modes underlie specific recognition of a bulged viral peptide bound to a human leukocyte antigen class I molecule.

Liu YC, Miles JJ, Neller MA, Gostick E, Price DA, Purcell AW, McCluskey J, Burrows SR, Rossjohn J, Gras S.

J Biol Chem. 2013 May 31;288(22):15442-54. doi: 10.1074/jbc.M112.447185. Epub 2013 Apr 8.


Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01.

Motozono C, Kuse N, Sun X, Rizkallah PJ, Fuller A, Oka S, Cole DK, Sewell AK, Takiguchi M.

J Immunol. 2014 Apr 1;192(7):3428-34. doi: 10.4049/jimmunol.1302667. Epub 2014 Mar 5.


A highly tilted binding mode by a self-reactive T cell receptor results in altered engagement of peptide and MHC.

Sethi DK, Schubert DA, Anders AK, Heroux A, Bonsor DA, Thomas CP, Sundberg EJ, Pyrdol J, Wucherpfennig KW.

J Exp Med. 2011 Jan 17;208(1):91-102. doi: 10.1084/jem.20100725. Epub 2011 Jan 3.


3-Layer-based analysis of peptide-MHC interaction: in silico prediction, peptide binding affinity and T cell activation in a relevant allergen-specific model.

Knapp B, Omasits U, Bohle B, Maillere B, Ebner C, Schreiner W, Jahn-Schmid B.

Mol Immunol. 2009 May;46(8-9):1839-44. doi: 10.1016/j.molimm.2009.01.009. Epub 2009 Feb 15.


Structural and dynamic control of T-cell receptor specificity, cross-reactivity, and binding mechanism.

Baker BM, Scott DR, Blevins SJ, Hawse WF.

Immunol Rev. 2012 Nov;250(1):10-31. doi: 10.1111/j.1600-065X.2012.01165.x. Review.


Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability.

Burrows SR, Chen Z, Archbold JK, Tynan FE, Beddoe T, Kjer-Nielsen L, Miles JJ, Khanna R, Moss DJ, Liu YC, Gras S, Kostenko L, Brennan RM, Clements CS, Brooks AG, Purcell AW, McCluskey J, Rossjohn J.

Proc Natl Acad Sci U S A. 2010 Jun 8;107(23):10608-13. doi: 10.1073/pnas.1004926107. Epub 2010 May 18.


Single MHC mutation eliminates enthalpy associated with T cell receptor binding.

Miller PJ, Pazy Y, Conti B, Riddle D, Appella E, Collins EJ.

J Mol Biol. 2007 Oct 19;373(2):315-27. Epub 2007 Jul 26.


How T cell receptors interact with peptide-MHCs: a multiple steered molecular dynamics study.

Cuendet MA, Zoete V, Michielin O.

Proteins. 2011 Nov;79(11):3007-24. doi: 10.1002/prot.23104. Epub 2011 Aug 30.


Antibody specific for the peptide.major histocompatibility complex. Is it T cell receptor-like?

Mareeva T, Lebedeva T, Anikeeva N, Manser T, Sykulev Y.

J Biol Chem. 2004 Oct 22;279(43):44243-9. Epub 2004 Aug 9.


Structural analysis of two HLA-DR-presented autoantigenic epitopes: crucial role of peripheral but not central peptide residues for T-cell receptor recognition.

De Oliveira DB, Harfouch-Hammoud E, Otto H, Papandreou NA, Stern LJ, Cohen H, Boehm BO, Bach J, Caillat-Zucman S, Walk T, Jung G, Eliopoulos E, Papadopoulos GK, van Endert PM.

Mol Immunol. 2000 Oct;37(14):813-25.


Predicting interactions between T cell receptors and MHC-peptide complexes.

Roomp K, Domingues FS.

Mol Immunol. 2011 Jan;48(4):553-62. doi: 10.1016/j.molimm.2010.10.014. Epub 2010 Nov 23.


Sulfamethoxazole induces a switch mechanism in T cell receptors containing TCRV╬▓20-1, altering pHLA recognition.

Watkins S, Pichler WJ.

PLoS One. 2013 Oct 7;8(10):e76211. doi: 10.1371/journal.pone.0076211. eCollection 2013.


Crystal structure of a complete ternary complex of T-cell receptor, peptide-MHC, and CD4.

Yin Y, Wang XX, Mariuzza RA.

Proc Natl Acad Sci U S A. 2012 Apr 3;109(14):5405-10. doi: 10.1073/pnas.1118801109. Epub 2012 Mar 19.


Structural basis for self-recognition by autoimmune T-cell receptors.

Yin Y, Li Y, Mariuzza RA.

Immunol Rev. 2012 Nov;250(1):32-48. doi: 10.1111/imr.12002. Review.


High resolution structures of highly bulged viral epitopes bound to major histocompatibility complex class I. Implications for T-cell receptor engagement and T-cell immunodominance.

Tynan FE, Borg NA, Miles JJ, Beddoe T, El-Hassen D, Silins SL, van Zuylen WJ, Purcell AW, Kjer-Nielsen L, McCluskey J, Burrows SR, Rossjohn J.

J Biol Chem. 2005 Jun 24;280(25):23900-9. Epub 2005 Apr 22.


T-cell receptor structure and TCR complexes.

Wilson IA, Garcia KC.

Curr Opin Struct Biol. 1997 Dec;7(6):839-48. Review. Erratum in: Curr Opin Struct Biol 1998 Feb;8(1):124-5.


Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.

Archbold JK, Macdonald WA, Gras S, Ely LK, Miles JJ, Bell MJ, Brennan RM, Beddoe T, Wilce MC, Clements CS, Purcell AW, McCluskey J, Burrows SR, Rossjohn J.

J Exp Med. 2009 Jan 16;206(1):209-19. doi: 10.1084/jem.20082136. Epub 2009 Jan 12.

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