IntAct European Bioinformatics Institute IntAct intact http://www.ebi.ac.uk/ http://www.ebi.ac.uk/intact/query/${ac} EBI-[0-9]+|IA:[0-9]+ INTerAction database (IntAct) provides an open source database and toolkit for the storage, presentation and analysis of molecular interactions. http://www.ebi.ac.uk/intact European Bioinformatics Institute; Wellcome Trust Genome Campus; Hinxton, Cambridge; CB10 1SD; United Kingdom http://www.ebi.ac.uk/intact/ Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nature structural & molecular biology 2020 imex curation Jin Z., Zhao Y., Sun Y., Zhang B., Wang H., Wu Y., Zhu Y., Zhu C., Hu T., Du X., Duan Y., Yu J., Yang X., Yang X., Yang K., Liu X., Guddat LW., Xiao G., Zhang L., Yang H., Rao Z. Virus - Publications including interactions involving viral proteins Coronavirus - Interactions investigated in the context of Coronavirus zhangleike@wh.iov.cn,yanght@shanghaitech.edu.cn 28-Sep-2020: Contacted by IntAct-Help. Only protein-protein interactions imex curation ecoli Escherichia coli (strain K12) x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Jin Z., Zhao Y., Sun Y., Zhang B., Wang H., Wu Y., Zhu Y., Zhu C., Hu T., Du X., Duan Y., Yu J., Yang X., Yang X., Yang K., Liu X., Guddat LW., Xiao G., Zhang L., Yang H., Rao Z. Virus - Publications including interactions involving viral proteins zhangleike@wh.iov.cn,yanght@shanghaitech.edu.cn Accepted 2020-JUL-09 AT 13:32 BST AT 13:32 BST by ORCHARD Nature structural & molecular biology 2020 Only protein-protein interactions imex curation imex curation p0dtd1-pro_0000449623 3C-like proteinase nsp5 rep ORF1ab polyprotein 1a-1b protein protein SARS-CoV-2 SARS-CoV-2 SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 2019-nCoV SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ 3264 3569 hexylcarbamic acid hexylcarbamic acid small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) rep-103 1 2 unspecified role unspecified role unspecified role unspecified role purified purified cys145 ester crosslinked residues ester crosslinked residues certain certain sequence position certain certain certain sequence position certain 3 unspecified role unspecified role neutral component neutral component carbamoyl group thiolated residue thiolated residue undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined chemical synthesis Chemical synthesis (Chemical synthesis) 8 6 direct interaction direct interaction Supplementary table The fatty acid moiety (C7H14NO) of carmofur is linked to the Sgamma atom of Cys145 through a 1.8 A covalent bond -the sulfhydryl group of Cys145 attacks the electrophilic carbonyl group of carmofur, resulting in covalent modification of Cys145 and release of 5-FU.