{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T12:45:05Z","timestamp":1790772305209,"version":"4.1.0"},"reference-count":38,"publisher":"Elsevier BV","issue":"24","license":[{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,12,1]],"date-time":"2021-12-01T00:00:00Z","timestamp":1638316800000},"content-version":"am","delay-in-days":365,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/100000054","name":"National Cancer Institute","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000054","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000009","name":"Foundation for the National Institutes of Health","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000009","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Molecular Biology"],"published-print":{"date-parts":[[2020,12]]},"DOI":"10.1016\/j.jmb.2020.10.031","type":"journal-article","created":{"date-parts":[[2020,11,3]],"date-time":"2020-11-03T23:18:13Z","timestamp":1604445493000},"page":"166697","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":24,"title":["Peptide\u2013MHC Binding Reveals Conserved Allosteric Sites in MHC Class I- and Class II-Restricted T Cell Receptors (TCRs)"],"prefix":"10.1016","volume":"432","author":[{"given":"Yanan","family":"He","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pragati","family":"Agnihotri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sneha","family":"Rangarajan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yihong","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Melissa C.","family":"Kerzic","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7383-719X","authenticated-orcid":false,"given":"Buyong","family":"Ma","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruth","family":"Nussinov","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roy A.","family":"Mariuzza","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3895-1800","authenticated-orcid":false,"given":"John","family":"Orban","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmb.2020.10.031_b0005","doi-asserted-by":"crossref","first-page":"914","DOI":"10.1016\/S0021-9258(17)49904-2","article-title":"The structural basis of T-cell receptor (TCR) activation: an enduring enigma","volume":"295","author":"Mariuzza","year":"2020","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jmb.2020.10.031_b0010","doi-asserted-by":"crossref","first-page":"546","DOI":"10.1038\/s41586-019-1537-0","article-title":"Structural basis of assembly of the human T cell receptor-CD3 complex","volume":"573","author":"Dong","year":"2019","journal-title":"Nature"},{"key":"10.1016\/j.jmb.2020.10.031_b0015","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1146\/annurev-immunol-032712-095910","article-title":"Pathways of antigen processing","volume":"31","author":"Blum","year":"2013","journal-title":"Annu. Rev. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0020","doi-asserted-by":"crossref","first-page":"19323","DOI":"10.1073\/pnas.1108052108","article-title":"Basic residues in the T-cell receptor \u03b6 cytoplasmic domain mediate membrane association and modulate signaling","volume":"108","author":"Zhang","year":"2011","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.jmb.2020.10.031_b0025","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1038\/cr.2017.42","article-title":"Lipid-dependent conformational dynamics underlie the functional versatility of T-cell receptor","volume":"27","author":"Guo","year":"2017","journal-title":"Cell Res."},{"key":"10.1016\/j.jmb.2020.10.031_b0030","doi-asserted-by":"crossref","first-page":"2423","DOI":"10.1084\/jem.20120790","article-title":"Local changes in lipid environment of TCR microclusters regulate membrane binding by the CD3e cytoplasmic domain","volume":"209","author":"Gagnon","year":"2012","journal-title":"J. Exp. Med."},{"key":"10.1016\/j.jmb.2020.10.031_b0035","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1038\/nature11699","article-title":"Ca2+ regulates T-cell receptor activation by modulating the charge property of lipids","volume":"493","author":"Shi","year":"2013","journal-title":"Nature"},{"key":"10.1016\/j.jmb.2020.10.031_b0040","doi-asserted-by":"crossref","first-page":"1657","DOI":"10.3389\/fimmu.2018.01657","article-title":"The role of molecular flexibility in antigen presentation and T cell receptor-mediated signaling","volume":"9","author":"Natarajan","year":"2018","journal-title":"Front. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0045","doi-asserted-by":"crossref","first-page":"2898","DOI":"10.3389\/fimmu.2018.02898","article-title":"Integrating experiment and theory to understand TCR-pMHC dynamics","volume":"9","author":"Buckle","year":"2018","journal-title":"Front. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0050","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1111\/imr.12788","article-title":"The TCR is an allosterically regulated macromolecular machinery changing its conformation while working","volume":"291","author":"Schamel","year":"2019","journal-title":"Immunol. Rev."},{"key":"10.1016\/j.jmb.2020.10.031_b0055","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1111\/imr.12769","article-title":"Electrostatic interactions: From immune receptor assembly to signaling","volume":"291","author":"Connolly","year":"2019","journal-title":"Immunol. Rev."},{"key":"10.1016\/j.jmb.2020.10.031_b0060","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1007\/s10858-019-00234-8","article-title":"NMR: an essential structural tool for integrative studies of T cell development, pMHC ligand recognition and TCR mechanobiology","volume":"73","author":"Mallis","year":"2019","journal-title":"J. Biomol. NMR"},{"key":"10.1016\/j.jmb.2020.10.031_b0065","doi-asserted-by":"crossref","first-page":"803","DOI":"10.1038\/ni1369","article-title":"The kinetic-segregation model: TCR triggering and beyond","volume":"7","author":"Davis","year":"2006","journal-title":"Nature Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0070","doi-asserted-by":"crossref","first-page":"574","DOI":"10.1038\/ni.3392","article-title":"Initiation of T cell signaling by CD45 segregation at \u2018close contacts\u2019","volume":"17","author":"Chang","year":"2016","journal-title":"Nature Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0075","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1038\/nri2887","article-title":"Mechanisms for T cell receptor triggering","volume":"11","author":"van der Merwe","year":"2011","journal-title":"Nature Rev. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0080","doi-asserted-by":"crossref","first-page":"31028","DOI":"10.1074\/jbc.M109.052712","article-title":"The \u03b1\u03b2 T cell receptor is an anisotropic mechanosensor","volume":"284","author":"Kim","year":"2009","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jmb.2020.10.031_b0085","doi-asserted-by":"crossref","first-page":"441","DOI":"10.3389\/fimmu.2015.00441","article-title":"Structural features of the \u03b1\u03b2 TCR mechanotransduction apparatus that promote pMHC discrimination","volume":"6","author":"Brazin","year":"2015","journal-title":"Front. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0090","doi-asserted-by":"crossref","first-page":"15260","DOI":"10.1038\/ncomms15260","article-title":"An allosteric site in the T-cell receptor Cb domain plays a critical signalling role","volume":"8","author":"Natarajan","year":"2017","journal-title":"Nature Comm."},{"key":"10.1016\/j.jmb.2020.10.031_b0095","doi-asserted-by":"crossref","first-page":"15991","DOI":"10.1074\/jbc.RA118.003832","article-title":"Peptide-MHC (pMHC) binding to a human antiviral T cell receptor induces long-range allosteric communication between pMHC- and CD3-binding sites","volume":"293","author":"Rangarajan","year":"2018","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jmb.2020.10.031_b0100","doi-asserted-by":"crossref","first-page":"5819","DOI":"10.4049\/jimmunol.1200952","article-title":"Cutting edge: Evidence for a dynamically driven T cell signaling mechanism","volume":"188","author":"Hawse","year":"2012","journal-title":"J. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0105","doi-asserted-by":"crossref","first-page":"487","DOI":"10.1038\/s41590-018-0092-4","article-title":"Monomeric TCRs drive T cell antigen recognition","volume":"19","author":"Brameshuber","year":"2018","journal-title":"Nature Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0110","doi-asserted-by":"crossref","first-page":"13139","DOI":"10.1073\/pnas.1409155111","article-title":"Diversity and clonal selection in the human T-cell repertoire","volume":"111","author":"Qi","year":"2014","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.jmb.2020.10.031_b0115","doi-asserted-by":"crossref","first-page":"1137","DOI":"10.1038\/emboj.2011.21","article-title":"Structure of a TCR with high affinity for self-antigen reveals basis for escape from natural selection","volume":"30","author":"Yin","year":"2011","journal-title":"EMBO J."},{"key":"10.1016\/j.jmb.2020.10.031_b0120","doi-asserted-by":"crossref","first-page":"19796","DOI":"10.1074\/jbc.M115.663799","article-title":"Identification of the docking site for CD3 on the T cell receptor \u03b2 chain by solution NMR","volume":"290","author":"He","year":"2015","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jmb.2020.10.031_b0125","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1146\/annurev-immunol-032414-112334","article-title":"T cell antigen receptor recognition of antigen-presenting molecules","volume":"33","author":"Rossjohn","year":"2015","journal-title":"Annu. Rev. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0130","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1084\/jem.20082487","article-title":"Increasing functional avidity of TCR-redirected T cells by removing defined N-glycosylation sites in the TCR constant domain","volume":"206","author":"Kuball","year":"2009","journal-title":"J. Exp. Med."},{"key":"10.1016\/j.jmb.2020.10.031_b0135","doi-asserted-by":"crossref","first-page":"1419","DOI":"10.1084\/jem.20020119","article-title":"Involvement of the TCR C\u03b2 FG loop in thymic selection and T cell function","volume":"195","author":"Sasada","year":"2002","journal-title":"J. Exp. Med."},{"key":"10.1016\/j.jmb.2020.10.031_b0140","doi-asserted-by":"crossref","first-page":"6812","DOI":"10.4049\/jimmunol.176.11.6812","article-title":"The TCR C\u03b2 FG loop regulates \u03b1\u03b2 T cell development","volume":"176","author":"Touma","year":"2006","journal-title":"J. Immunol."},{"key":"10.1016\/j.jmb.2020.10.031_b0145","doi-asserted-by":"crossref","first-page":"1517","DOI":"10.1073\/pnas.1424829112","article-title":"Force-dependent transition in the T-cell receptor b-subunit allosterically regulates peptide discrimination and pMHC bond lifetime","volume":"112","author":"Das","year":"2015","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.jmb.2020.10.031_b0150","doi-asserted-by":"crossref","first-page":"275","DOI":"10.1002\/jmr.896","article-title":"Thermodynamics of T cell receptor\u2013peptide\/MHC interactions","volume":"21","author":"Armstrong","year":"2008","journal-title":"J. Mol. Recognit."},{"key":"10.1016\/j.jmb.2020.10.031_b0155","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/j.jmb.2004.11.063","article-title":"Two different T cell receptors use different thermodynamic strategies to recognize the same peptide\/MHC ligand","volume":"346","author":"Davis-Harrison","year":"2005","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.jmb.2020.10.031_b0160","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1007\/BF00197809","article-title":"NMRPipe: a multidimensional spectral processing system based on UNIX pipes","volume":"6","author":"Delaglio","year":"1995","journal-title":"J. Biomol. NMR"},{"key":"10.1016\/j.jmb.2020.10.031_b0165","series-title":"SPARKY 3","author":"Goddard","year":"2004"},{"key":"10.1016\/j.jmb.2020.10.031_b0170","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1006\/jcph.1999.6201","article-title":"NAMD2: greater scalability for parallel molecular dynamics","volume":"151","author":"Kale","year":"1999","journal-title":"J. Comp. Phys."},{"key":"10.1016\/j.jmb.2020.10.031_b0175","doi-asserted-by":"crossref","first-page":"1400","DOI":"10.1002\/jcc.20065","article-title":"Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations","volume":"25","author":"Mackerell","year":"2004","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jmb.2020.10.031_b0180","doi-asserted-by":"crossref","first-page":"7821","DOI":"10.1073\/pnas.122653799","article-title":"Community structure in social and biological networks","volume":"99","author":"Girvan","year":"2002","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.jmb.2020.10.031_b0185","doi-asserted-by":"crossref","first-page":"3000","DOI":"10.1093\/bioinformatics\/bts546","article-title":"NetworkView: 3D display and analysis of protein\u00b7RNA interaction networks","volume":"28","author":"Eargle","year":"2012","journal-title":"Bioinformatics"},{"key":"10.1016\/j.jmb.2020.10.031_b0190","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/S1074-7613(00)80080-1","article-title":"Crystal structure of human A6 TCR complexed with HLA-A2 bound to altered HTLV-1 Tax peptide P6A","volume":"11","author":"Ding","year":"1999","journal-title":"Immunity"}],"container-title":["Journal of Molecular Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S002228362030615X?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S002228362030615X?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,19]],"date-time":"2025-09-19T21:38:33Z","timestamp":1758317913000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S002228362030615X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,12]]},"references-count":38,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2020,12]]}},"alternative-id":["S002228362030615X"],"URL":"https:\/\/doi.org\/10.1016\/j.jmb.2020.10.031","relation":{},"ISSN":["0022-2836"],"issn-type":[{"value":"0022-2836","type":"print"}],"subject":[],"published":{"date-parts":[[2020,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Peptide\u2013MHC Binding Reveals Conserved Allosteric Sites in MHC Class I- and Class II-Restricted T Cell Receptors (TCRs)","name":"articletitle","label":"Article Title"},{"value":"Journal of Molecular Biology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmb.2020.10.031","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2020 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"166697"}}