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/ Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease imex curation Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins Coronavirus - Interactions investigated in the context of Coronavirus This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de 28-Sep-2020: Contacted by IntAct-Help. Only protein-protein interactions imex curation in vitro In vitro x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de Accepted 2020-AUG-28 AT 11:07 BST AT 11:07 BST by MGT Only protein-protein interactions imex curation imex curation Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease imex curation Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins Coronavirus - Interactions investigated in the context of Coronavirus This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de 28-Sep-2020: Contacted by IntAct-Help. Only protein-protein interactions imex curation in vitro In vitro ms interact detect detection by mass spectrometry ms interact detect predetermined predetermined participant predetermined Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de Accepted 2020-AUG-28 AT 11:07 BST AT 11:07 BST by MGT Only protein-protein interactions imex curation imex curation Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease imex curation Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins Coronavirus - Interactions investigated in the context of Coronavirus This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de 28-Sep-2020: Contacted by IntAct-Help. Only protein-protein interactions imex curation in vitro In vitro cleavage cleavage assay cleavage sequence tag sequence tag identification sequence tag Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de Accepted 2020-AUG-28 AT 11:07 BST AT 11:07 BST by MGT Only protein-protein interactions imex curation imex curation Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease imex curation Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins Coronavirus - Interactions investigated in the context of Coronavirus This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de 28-Sep-2020: Contacted by IntAct-Help. Only protein-protein interactions imex curation in vitro In vitro cleavage cleavage assay cleavage ms participant Identification by mass spectrometry ms participant Sebastian Gunther, Patrick Y. A. Reinke, Dominik Oberthuer, Oleksandr Yefanov, Helen Ginn, Susanne Meier, Thomas J. Lane, Kristina Lorenzen, Luca Gelisio, Wolfgang Brehm, Illona Dunkel, Martin Domaracky, Sofiane Saouane, Julia Lieske, Christiane Ehrt, Faisal Koua, Alexandra Tolstikova, Thomas A. White, Michael Groessler, Holger Fleckenstein, Fabian Trost, Marina Galchenkova, Yaroslav Gevorkov, Chufeng Li, Salah Awel, Ariana Peck, P. Lourdu Xavier, Miriam Barthelmess, Frank Schlünzen, Nadine Werner, Hina Andaleeb, Najeeb Ullah, Sven Falke, Bruno Alves Franca, Martin Schwinzer, Hévila Brognaro, Brandon Seychell, Henry Gieseler, Diogo Melo, Jo J. Zaitsev-Doyle, Brenna Norton-Baker, Juraj Knoska, Gisel Esperanza, Aida Rahmani Mashhour, Filip Guicking, Vincent Hennicke, Pontus Fischer, Cromarte Rogers, Diana C. F. Monteiro, Johanna Hakanpää, Jan Meyer, Heshmat Noei, Phil Gribbon, Bernhard Ellinger, Maria Kuzikov, Markus Wolf, Linlin Zhang, Xinyuanyuan Sun, Jonathan Pletzer-Zelgert, Jan Wollenhaupt, Christian Feiler, Manfred Weiss, Eike-Christian Schulz, Pedram Mehrabi, Christina Schmidt, Robin Schubert, Huijong Han, Boris Krichel, Yaiza Fernández-García, Beatriz Escudero-Pérez, Stephan Günther, Dusan Turk, Charlotte Uetrecht, Tobias Beck, Henning Tidow, Ashwin Chari, Andrea Zaliani, Matthias Rarey, Russell Cox, Rolf Hilgenfeld, Henry N. Chapman, Arwen R. Pearson, Christian Betzel, Alke Meents Virus - Publications including interactions involving viral proteins This entry has been curated from a pre-print and has not been peer-reviewed. If needed, the data in this entry will be amended once the manuscript has gone through peer-review sebastian.guenther@desy.de,alke.meents@desy.de Accepted 2020-AUG-28 AT 11:07 BST AT 11:07 BST by MGT Only protein-protein interactions imex curation imex curation 2-methyl-1-tetralone 2-Methyl-1-tetralone small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) 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 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2h-naphthalen-1-one 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) 2_methyl_1_tetralone-rep-1 1 5 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) 6 unspecified role unspecified role neutral component neutral component purified purified ecoli Escherichia coli (strain K12) direct interaction direct interaction Fig. 1, Table 1 1.8Å Rwork - 0.192 Rfree - 0.226 rep-114 2 6 unspecified role unspecified role neutral component neutral component purified purified ecoli Escherichia coli (strain K12) direct interaction direct interaction Fig. 2a/b 2_[[2_(4_hydroxyphenyl)ethylamino]methyl]_3,4_dihydro_2h_naphthalen_1_one-rep-2 4 7 enzyme target enzyme target substrate substrate neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) 6 enzyme enzyme neutral component neutral component purified purified ecoli Escherichia coli (strain K12) cleavage cleavage reaction cleavage Figs. 2b, S1 2_[[2_(4_hydroxyphenyl)ethylamino]methyl]_3,4_dihydro_2h_naphthalen_1_one-rep-3 3 7 enzyme target enzyme target substrate substrate neutral component neutral component purified purified 6 enzyme enzyme neutral component neutral component purified purified ecoli Escherichia coli (strain K12) cleavage cleavage reaction cleavage Supplementary Figure 1