{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,27]],"date-time":"2026-10-27T12:37:37Z","timestamp":1793104657718,"version":"4.5.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"11","license":[{"start":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T00:00:00Z","timestamp":1792540800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T00:00:00Z","timestamp":1792540800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["32360223"],"award-info":[{"award-number":["32360223"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82360701"],"award-info":[{"award-number":["82360701"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Jiangxi Provincial Natural Science Foundation","award":["20262BAC250108"],"award-info":[{"award-number":["20262BAC250108"]}],"id":[{"id":"https:\/\/ror.org\/04aqat463","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Jiangxi Provincial Natural Science Foundation","award":["20252BAC250108"],"award-info":[{"award-number":["20252BAC250108"]}],"id":[{"id":"https:\/\/ror.org\/04aqat463","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr D Struct Biol","Acta Crystallogr D","Acta Cryst D","Acta Cryst D Struct Biol","Acta Cryst Sect D","Acta Cryst Sect D Struct Biol","Acta Crystallogr Sect D","Acta Crystallogr Sect D Struct Biol","Acta Crystallogr D Biol Crystallogr","Acta Cryst D Biol Cryst"],"accepted":{"date-parts":[[2026,10,5]]},"published-print":{"date-parts":[[2026,11,1]]},"abstract":"<jats:p>\n                    The SARS-CoV-2 main protease (M\n                    <jats:sup>pro<\/jats:sup>\n                    ) has a pivotal role in mediating viral genome replication and transcription of the coronavirus, making it a prime target for antiviral drug development. This study presents four high-resolution crystal structures of SARS-CoV-2 M\n                    <jats:sup>pro<\/jats:sup>\n                    in the apo state. Among these structures, we identify a previously unobserved, stable inactive conformation, characterized by a major displacement of the oxyanion loop (especially Phe140, Leu141 and Asn142), the rotation of some important residues (including His163 and His172) and the loss of many key interactions around the active site, which provides new insights into the conformational dynamics of the enzyme. We also report structures of M\n                    <jats:sup>pro<\/jats:sup>\n                    in complex with the covalent inhibitor pomotrelvir (PBI-0451) for the wild-type enzyme and three clinical variant-associated mutants (G15S, K90R and P132H). PBI-0451 adopts a virtually identical mode when bound to wild-type M\n                    <jats:sup>pro<\/jats:sup>\n                    and the K90R and G15S M\n                    <jats:sup>pro<\/jats:sup>\n                    mutants. However, the crystal structure of PBI-0451 bound to SARS-CoV-2 M\n                    <jats:sup>pro<\/jats:sup>\n                    P132H reveals a discernible shift of the Gln189-bearing loop and incomplete electron density for the Gln189 side chain, which may be responsible for the subtle modest reduction in PBI-0451 susceptibility. These findings expand the conformational landscape of M\n                    <jats:sup>pro<\/jats:sup>\n                    and offer structural guidance for the design of M\n                    <jats:sup>pro<\/jats:sup>\n                    -targeted antiviral drugs.\n                  <\/jats:p>","DOI":"10.1107\/s2059798326010296","type":"journal-article","created":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T15:52:21Z","timestamp":1792597941000},"page":"1260-1273","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structures of SARS-CoV-2 main protease and its complex with PBI-0451"],"prefix":"10.1107","volume":"82","author":[{"given":"Haihai","family":"Jiang","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/042v6xz23","id-type":"ROR","asserted-by":"publisher"}],"department":["School of Basic Medical Sciences, Jiangxi Medical College"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenwen","family":"Li","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/01tjgw469","id-type":"ROR","asserted-by":"publisher"}],"department":["Jiangxi Province Key Laboratory of Pharmacology of Traditional Chinese Medicine, State Key Laboratory of New Targets Discovery and Drug Development for Major Diseases, School of Pharmacy"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jin","family":"Zhang","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/042v6xz23","id-type":"ROR","asserted-by":"publisher"}],"department":["School of Basic Medical Sciences, Jiangxi Medical College"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9511-4219","authenticated-orcid":true,"given":"Jian","family":"Li","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/01tjgw469","id-type":"ROR","asserted-by":"publisher"}],"department":["Jiangxi Province Key Laboratory of Pharmacology of Traditional Chinese Medicine, State Key Laboratory of New Targets Discovery and Drug Development for Major Diseases, School of Pharmacy"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,10,21]]},"container-title":["Acta Crystallographica Section D Structural Biology"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/d\/issues\/2026\/11\/00\/ag5067\/ag5067.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/d\/issues\/2026\/11\/00\/ag5067\/ag5067.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,27]],"date-time":"2026-10-27T12:16:18Z","timestamp":1793103378000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2059798326010296"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,21]]},"references-count":0,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2026,11]]}},"alternative-id":["S2059798326010296"],"URL":"https:\/\/doi.org\/10.1107\/s2059798326010296","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2059798326010296\/ag5067sup1.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb8wsh\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb8wsi\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb8wsj\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb8wsk\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb9wxw\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb9lzn\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb9lzp\/pdb","asserted-by":"subject"},{"id-type":"doi","id":"10.2210\/pdb9lzo\/pdb","asserted-by":"subject"}]},"ISSN":["2059-7983"],"issn-type":[{"value":"2059-7983","type":"print"}],"subject":[],"published":{"date-parts":[[2026,10,21]]},"assertion":[{"value":"Acta Crystallographica Section D: Structural Biology","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/d"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/d\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?ag5067","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"24 March 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"5 October 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"21 October 2026","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"https:\/\/scripts.iucr.org\/cgi-bin\/sendsup?ag5067"}},{"value":"\u00a9 Jiang, Li, Zhang and Li","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}},{"value":"IUCr licence to publish","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/journals.iucr.org\/copyright\/licencetopublish.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}