{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T04:16:54Z","timestamp":1790828214481,"version":"4.1.0"},"reference-count":33,"publisher":"Wiley","issue":"19","license":[{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemBioChem"],"published-print":{"date-parts":[[2022,10,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The 68\u2010kDa homodimeric 3C\u2010like protease of SARS\u2010CoV\u20102, M\n                    <jats:sup>pro<\/jats:sup>\n                    (3CL\n                    <jats:sup>pro<\/jats:sup>\n                    \/Nsp5), is a key antiviral drug target. NMR spectroscopy of this large system proved challenging and resonance assignments have remained incomplete. Here we present the near\u2010complete (&gt;97\u2009%) backbone assignments of a C145A variant of M\n                    <jats:sup>pro<\/jats:sup>\n                    (M\n                    <jats:sup>pro<\/jats:sup>\n                    <jats:sub>C145A<\/jats:sub>\n                    ) both with, and without, the N\u2010terminal auto\u2010cleavage substrate sequence, in its native homodimeric state. We also present SILLY (Selective Inversion of thioL and Ligand for NOESY), a simple yet effective pseudo\u20103D NMR experiment that utilizes NOEs to identify interactions between Cys\u2010thiol or aliphatic protons, and their spatially proximate backbone amides in a perdeuterated protein background. High protection against hydrogen exchange is observed for 10 of the 11 thiol groups in M\n                    <jats:sup>pro<\/jats:sup>\n                    <jats:sub>C145A<\/jats:sub>\n                    , even those that are partially accessible to solvent. A combination of SILLY methods and high\u2010resolution triple\u2010resonance NMR experiments reveals site\u2010specific interactions between M\n                    <jats:sup>pro<\/jats:sup>\n                    , its substrate peptides, and other ligands, which present opportunities for competitive binding studies in future drug design efforts.\n                  <\/jats:p>","DOI":"10.1002\/cbic.202200471","type":"journal-article","created":{"date-parts":[[2022,8,16]],"date-time":"2022-08-16T08:57:09Z","timestamp":1660640229000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["NMR Observation of Sulfhydryl Signals in SARS\u2010CoV\u20102 Main Protease Aids Structural Studies"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3762-3450","authenticated-orcid":false,"given":"Angus J.","family":"Robertson","sequence":"first","affiliation":[{"name":"Laboratory of Chemical Physics National Institute of Diabetes and Digestive and Kidney Disease National Institutes of Health  Bethesda Maryland 20892 USA"},{"name":"Biophysical Chemistry Center for Molecular Protein Science Lund University  22100 Lund Sweden"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jinfa","family":"Ying","sequence":"additional","affiliation":[{"name":"Laboratory of Chemical Physics National Institute of Diabetes and Digestive and Kidney Disease National Institutes of Health  Bethesda Maryland 20892 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9809-5700","authenticated-orcid":false,"given":"Ad","family":"Bax","sequence":"additional","affiliation":[{"name":"Laboratory of Chemical Physics National Institute of Diabetes and Digestive and Kidney Disease National Institutes of Health  Bethesda Maryland 20892 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2022,9,7]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abf7945"},{"key":"e_1_2_8_2_1","unstructured":"\u00a0"},{"key":"e_1_2_8_3_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1835675100"},{"key":"e_1_2_8_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi0490237"},{"key":"e_1_2_8_5_1","unstructured":"\u00a0"},{"key":"e_1_2_8_6_2","doi-asserted-by":"publisher","DOI":"10.1128\/JVI.02680-07"},{"key":"e_1_2_8_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.virol.2009.03.034"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13238-010-0011-4"},{"key":"e_1_2_8_9_1","unstructured":"\u00a0"},{"key":"e_1_2_8_10_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1085658"},{"key":"e_1_2_8_11_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1601327113"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1128\/JVI.01528-14"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2223-y"},{"key":"e_1_2_8_14_1","unstructured":"\u00a0"},{"key":"e_1_2_8_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202109965"},{"key":"e_1_2_8_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c10588"},{"key":"e_1_2_8_17_1","unstructured":"\u00a0"},{"key":"e_1_2_8_18_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.23.12366"},{"key":"e_1_2_8_19_2","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008268930690"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja305091n"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-18233-x"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-020-00343-9"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c03945"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202103693"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2020.592908"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2018.10.039"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pnmrs.2016.08.002"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1101\/2021.10.04.463034"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-18709-w"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2364(91)90034-Q"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/nbm.4188"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b08415"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja101205j"}],"container-title":["ChemBioChem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cbic.202200471","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/cbic.202200471","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cbic.202200471","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T17:47:33Z","timestamp":1760291253000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cbic.202200471"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,7]]},"references-count":33,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2022,10,6]]}},"alternative-id":["10.1002\/cbic.202200471"],"URL":"https:\/\/doi.org\/10.1002\/cbic.202200471","archive":["Portico"],"relation":{},"ISSN":["1439-4227","1439-7633"],"issn-type":[{"value":"1439-4227","type":"print"},{"value":"1439-7633","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,7]]},"assertion":[{"value":"2022-08-15","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication 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