{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T08:45:15Z","timestamp":1792053915604,"version":"4.4.0"},"reference-count":42,"publisher":"American Association for the Advancement of Science (AAAS)","issue":"1","funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2024-00467046"],"award-info":[{"award-number":["RS-2024-00467046"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2024-00440039"],"award-info":[{"award-number":["RS-2024-00440039"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2025-25409512"],"award-info":[{"award-number":["RS-2025-25409512"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS-2026-25505488"],"award-info":[{"award-number":["RS-2026-25505488"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["spj.science.org"],"crossmark-restriction":true},"short-container-title":["Comput Struct Biotechnol J"],"published-print":{"date-parts":[[2026,3,1]]},"abstract":"<jats:p>\n                    T cell receptor (TCR)-like antibodies that recognize a peptide\u2013major histocompatibility complex (pMHC) can enable precise targeting of cancer cells, but developing single-domain binders with high specificity and affinity is challenging. Here, we report the computational design and experimental validation of a TCR-like human heavy chain variable (V\n                    <jats:sub>H<\/jats:sub>\n                    ) domain antibody that specifically recognizes the Wilms\u2019 tumor 1 protein (WT1)-derived peptide RMFPNAPYL presented by HLA-A*02:01\/\u03b22-microglobulin (RMF\/HLA-A*02). Starting from the crystal structure of a Fab antibody bound to RMF\/HLA-A*02, we repurposed the soluble trastuzumab-derived V\n                    <jats:sub>H<\/jats:sub>\n                    scaffold to bind RMF\/HLA-A*02. The resulting V\n                    <jats:sub>H<\/jats:sub>\n                    domain, \u03b1RMF_V\n                    <jats:sub>H<\/jats:sub>\n                    , spans all 9 peptide residues and showed no binding to a control pMHC with a different peptide. Fusion of 1 or 2 \u03b1RMF_V\n                    <jats:sub>H<\/jats:sub>\n                    molecules to human serum albumin domain III yielded monovalent and bivalent constructs with good biophysical properties. The monovalent construct bound selectively to RMF\/HLA-A*02 with 81 nM affinity, and when expressed as part of a chimeric antigen receptor on T cells, it functioned as an antigen-recognition domain to selectively activate T cells in the presence of RMF\/HLA-A*02-positive cells. The bivalent construct exhibited a dramatically increased apparent binding affinity of 0.37 nM. When both constructs were engineered into the bispecific T cell engager (TCE) format containing an anti-CD3 Fv, the bivalent TCE induced antigen-dependent cytotoxicity much more effectively than the monovalent TCE. These results demonstrate a viable strategy to develop high-specificity, peptide-focused TCR-like V\n                    <jats:sub>H<\/jats:sub>\n                    domain antibodies that can be readily extended into potent bivalent TCEs for pMHC-targeted therapeutics.\n                  <\/jats:p>","DOI":"10.34133\/csbj.0236","type":"journal-article","created":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T06:42:26Z","timestamp":1790836946000},"update-policy":"https:\/\/doi.org\/10.34133\/aaas_crossmark_01","source":"Crossref","is-referenced-by-count":0,"title":["Computational Design of a TCR-like Human V\n                    <sub>H<\/sub>\n                    Domain Antibody That Specifically Recognizes a WT1-Derived Peptide Presented by Class I Major Histocompatibility Complex"],"prefix":"10.34133","volume":"35","author":[{"given":"Tae-Sung","family":"Oh","sequence":"first","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4374-2093","authenticated-orcid":false,"given":"Seong-Woo","family":"Kim","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, \rKorea Advanced Institute of Science and Technology, Daejeon, Republic of Korea."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-1277-8679","authenticated-orcid":false,"given":"SangPhil","family":"Ahn","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-2363-0812","authenticated-orcid":false,"given":"Seonghyuk","family":"Suh","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"JooYeon","family":"Lee","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-9717-4112","authenticated-orcid":false,"given":"YeongNam","family":"Bae","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, \rKorea Advanced Institute of Science and Technology, Daejeon, Republic of Korea."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-1839-9752","authenticated-orcid":false,"given":"Hyejin","family":"Lee","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2673-1509","authenticated-orcid":false,"given":"Yong-Sung","family":"Kim","sequence":"additional","affiliation":[{"name":"Department of Molecular Science and Technology, College of Advanced Bioconvergence Engineering, \rAjou University, Suwon, Republic of Korea."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0629-6722","authenticated-orcid":true,"given":"Bo-Seong","family":"Jeong","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6437-8470","authenticated-orcid":true,"given":"Byung-Ha","family":"Oh","sequence":"additional","affiliation":[{"name":"Therazyne, Inc.","place":["Republic of Korea"]},{"name":"Graduate School of Engineering Biology, KAIST Institute for BioInnovation, \rKorea Advanced Institute of Science and Technology, Daejeon, Republic of Korea."}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"221","published-online":{"date-parts":[[2026,10,15]]},"reference":[{"issue":"6","key":"e_1_3_4_2_2","doi-asserted-by":"crossref","DOI":"10.1016\/j.mcpro.2022.100234","article-title":"Immunopeptidomics: Reading the immune signal that defines self from nonself","volume":"21","author":"Thibault P","year":"2022","unstructured":"Thibault P, Perreault C. Immunopeptidomics: Reading the immune signal that defines self from nonself. Mol Cell Proteomics. 2022;21(6): Article 100234.","journal-title":"Mol Cell Proteomics"},{"key":"e_1_3_4_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ctrv.2019.06.001"},{"issue":"10435","key":"e_1_3_4_4_2","doi-asserted-by":"crossref","first-page":"1460","DOI":"10.1016\/S0140-6736(24)00319-2","article-title":"Afamitresgene autoleucel for advanced synovial sarcoma and myxoid round cell liposarcoma (SPEARHEAD-1): An international, open-label, phase 2 trial","volume":"403","author":"D\u2019Angelo SP","year":"2024","unstructured":"D\u2019Angelo SP, Araujo DM, Abdul Razak AR, Agulnik M, Attia S, Blay JY, Carrasco Garcia I, Charlson JA, Choy E, Demetri GD, et al. Afamitresgene autoleucel for advanced synovial sarcoma and myxoid round cell liposarcoma (SPEARHEAD-1): An international, open-label, phase 2 trial. 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