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Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[2026,5,5]]},"abstract":"<jats:p>\n                    It might have been believed that elucidation of the atomistic structure of PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    would lead to an immediate understanding of the mechanism of prion propagation. However, PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    , now known to be a \u201csimple\u201d amyloid, can only template a previously unfolded polypeptide chain. Therefore, PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    can easily template the disordered ~90\u2013120 domain of an incoming PrP\n                    <jats:sup>C<\/jats:sup>\n                    molecule, but not its ~121\u2013231 folded domain (FD). The FD needs to accommodate into the ~121\u2013230 PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    surface, an inert \u201cprocrustean bed\u201d. Thus, a mechanism for concerted unfolding\/refolding of the FD must exist, with FD unfolding as a key element. To explore how this might happen, we performed thermal unfolding of recombinant bank vole PrP\n                    <jats:sup>C<\/jats:sup>\n                    (90\u2013231), a universal PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    propagator, tracking changes at the residue level with solution NMR to pinpoint early unfolding propensity. Our data suggest that a key early event is the destabilization of the short \u03b21-\u03b22 assembly and that the segment contiguous to the disordered tail, ~121\u2013140, encompassing \u03b21 and its adjacent coils, is the most likely region to unfold first. Spectroscopic data obtained at higher temperatures suggest that portions of alpha helix \u03b12 are likely the last elements of the FD to unfold and refold into the PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    conformation. Molecular Dynamics simulations assisted the interpretation of these changes and suggest separation of \u03b11 from the rest of the FD ensemble. Our data provide a conceivable timeline of the early events in PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    -assisted conversion of PrP\n                    <jats:sup>C<\/jats:sup>\n                    and should serve as a starting framework to develop a future atomistic model of PrP\n                    <jats:sup>Sc<\/jats:sup>\n                    propagation.\n                  <\/jats:p>","DOI":"10.1073\/pnas.2529837123","type":"journal-article","created":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T17:37:36Z","timestamp":1777484256000},"update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":5,"title":["Exploring PrP\n                    <sup>C<\/sup>\n                    unfolding as a critical step preceding its refolding in the context of PrP\n                    <sup>Sc<\/sup>\n                    propagation"],"prefix":"10.1073","volume":"123","author":[{"given":"Sanaz","family":"Sabzehei","sequence":"first","affiliation":[{"name":"Center for Research in Molecular Medicine and Chronic Diseases and Department of Medical Sciences, University of Santiago de Compostela-Instituto de Investigaci\u00f3n Sanitaria de Santiago","place":["Santiago de Compostela, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7448-1896","authenticated-orcid":false,"given":"Marta","family":"Rigoli","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05trd4x28","id-type":"ROR","asserted-by":"publisher"}],"name":"Department of Cellular, Computational and Integrative Biology, University of Trento","place":["Povo, Italy"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-8665-0112","authenticated-orcid":false,"given":"Ra\u00fal","family":"Cacheiro","sequence":"additional","affiliation":[{"name":"Center for Research in Molecular Medicine and Chronic Diseases and Department of Medical Sciences, University of Santiago de Compostela-Instituto de Investigaci\u00f3n Sanitaria de Santiago","place":["Santiago de Compostela, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-4527-4769","authenticated-orcid":false,"given":"Iria","family":"D\u00edaz-Arias","sequence":"additional","affiliation":[{"name":"Center for Research in Molecular Medicine and Chronic Diseases and Department of Medical Sciences, University of Santiago de Compostela-Instituto de Investigaci\u00f3n Sanitaria de Santiago","place":["Santiago de Compostela, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hasier","family":"Era\u00f1a","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02x5c5y60","id-type":"ROR","asserted-by":"publisher"}],"name":"Asociaci\u00f3n Centro de Investigaci\u00f3n Cooperativa en Biociencias, Basque Research and Technology Alliance, Prion Research Lab","place":["Derio, Spain"]},{"name":"Atlas Molecular Pharma S. 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