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X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease

by Günther, Sebastian, Reinke, Patrick Y A, Fernández-García, Yaiza, Lieske, Julia, Lane, Thomas J, Ginn, Helen M, Koua, Faisal H M, Ewert, Wiebke, Oberthuer, Dominik, Yefanov, Oleksandr, Meier, Susanne, Lorenzen, Kristina, Krichel, Boris, Kopicki, Janine-Denise, Gelisio, Luca, Brehm, Wolfgang, Dunkel, Ilona, Seychell, Brandon, Gieseler, Henry, Norton-Baker, Brenna, Escudero-Pérez, Beatriz, Domaracky, Martin, Saouane, Sofiane, Tolstikova, Alexandra, White, Thomas A, Hänle, Anna, Groessler, Michael, Fleckenstein, Holger, Trost, Fabian, Galchenkova, Marina, Gevorkov, Yaroslav, Li, Chufeng, Awel, Salah, Peck, Ariana, Barthelmess, Miriam, Schlünzen, Frank, Lourdu Xavier, P, Werner, Nadine, Andaleeb, Hina, Ullah, Najeeb, Falke, Sven, Srinivasan, Vasundara, França, Bruno Alves, Schwinzer, Martin, Brognaro, Hévila, Rogers, Cromarte, Zaitseva-Doyle, Joanna J, Knoska, Juraj, Peña-Murillo, Gisel E, Mashhour, Aida Rahmani, Hennicke, Vincent, Fischer, Pontus, Hakanpää, Johanna, Meyer, Jan, Gribbon, Philip, Ellinger, Bernhard, Kuzikov, Maria, Wolf, Markus, Beccari, Andrea R, Bourenkov, Gleb, von Stetten, David, Pompidor, Guillaume, Bento, Isabel, Panneerselvam, Saravanan, Karpics, Ivars, Schneider, Thomas R, Garcia-Alai, Maria Marta, Niebling, Stephan, Günther, Christian, Schmidt, Christina, Schubert, Robin, Han, Huijong, Boger, Juliane, Monteiro, Diana C F, Zhang, Linlin, Sun, Xinyuanyuan, Pletzer-Zelgert, Jonathan, Wollenhaupt, Jan, Feiler, Christian G, Weiss, Manfred S, Schulz, Eike-Christian, Mehrabi, Pedram, Karničar, Katarina, Usenik, Aleksandra, Loboda, Jure, Tidow, Henning, Chari, Ashwin, Hilgenfeld, Rolf, Uetrecht, Charlotte, Cox, Russell, Zaliani, Andrea, Beck, Tobias, Rarey, Matthias, Günther, Stephan, Turk, Dusan, Hinrichs, Winfried, Chapman, Henry N, Pearson, Arwen R, Betzel, Christian, Meents, Alke
Published in Science (07.05.2021)

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Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

by Günther, Sebastian, Reinke, Patrick Y A, Fernández-García, Yaiza, Lieske, Julia, Lane, Thomas J, Koua, Faisal H M, Ehrt, Christiane, Ewert, Wiebke, Oberthuer, Dominik, Yefanov, Oleksandr, Meier, Susanne, Lorenzen, Kristina, Krichel, Boris, Janine-Denise Kopicki, Gelisio, Luca, Brehm, Wolfgang, Dunkel, Ilona, Seychell, Brandon, Gieseler, Henry, Norton-Baker, Brenna, Escudero-Pérez, Beatriz, Domaracky, Martin, Saouane, Sofiane, Tolstikova, Alexandra, White, Thomas A, Hänle, Anna, Groessler, Michael, Fleckenstein, Holger, Trost, Fabian, Galchenkova, Marina, Gevorkov, Yaroslav, Li, Chufeng, Awel, Salah, Peck, Ariana, Barthelmess, Miriam, Schlünzen, Frank, Xavier, P Lourdu, Werner, Nadine, Ullah, Najeeb, Falke, Sven, Srinivasan, Vasundara, Bruno Alves Franca, Schwinzer, Martin, Brognaro, Hévila, Rogers, Cromarte, Melo, Diogo, Zaitsev-Doyle, Jo J, Knoska, Juraj, Peña Murillo, Gisel E, Aida Rahmani Mashhour, Guicking, Filip, Hennicke, Vincent, Fischer, Pontus, Hakanpää, Johanna, Meyer, Jan, Gribbon, Phil, Ellinger, Bernhard, Kuzikov, Maria, Wolf, Markus, Beccari, Andrea R, Bourenkov, Gleb, David Von Stetten, Pompidor, Guillaume, Bento, Isabel, Panneerselvam, Saravanan, Karpics, Ivars, Schneider, Thomas R, Garcia Alai, Maria Marta, Niebling, Stephan, Günther, Christian, Schmidt, Christina, Schubert, Robin, Han, Huijong, Boger, Juliane, Monteiro, Diana C F, Zhang, Linlin, Sun, Xinyuanyuan, Pletzer-Zelgert, Jonathan, Wollenhaupt, Jan, Feiler, Christian G, Weiss, Manfred S, Schulz, Eike-Christian, Mehrabi, Pedram, Karničar, Katarina, Usenik, Aleksandra, Loboda, Jure, Tidow, Henning, Chari, Ashwin, Hilgenfeld, Rolf, Uetrecht, Charlotte, Cox, Russell, Beck, Tobias, Rarey, Matthias, Günther, Stephan, Turk, Dusan, Hinrichs, Winfried, Chapman, Henry N, Pearson, Arwen R, Betzel, Christian, Meents, Alke
Published in bioRxiv (23.11.2020)

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Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease

by Günther, Sebastian, Reinke, Patrick Y A, Oberthuer, Dominik, Yefanov, Oleksandr, Ginn, Helen, Meier, Susanne, Lane, Thomas J, Lorenzen, Kristina, Gelisio, Luca, Brehm, Wolfgang, Dunkel, Ilona, Domaracky, Martin, Saouane, Sofiane, Lieske, Julia, Ehrt, Christiane, Koua, Faisal, Tolstikova, Alexandra, White, Thomas A, Groessler, Michael, Fleckenstein, Holger, Trost, Fabian, Galchenkova, Marina, Gevorkov, Yaroslav, Li, Chufeng, Awel, Salah, Peck, Ariana, Xavier, P Lourdu, Barthelmess, Miriam, Schlünzen, Frank, Werner, Nadine, Andaleeb, Hina, Ullah, Najeeb, Falke, Sven, Bruno Alves Franca, Schwinzer, Martin, Brognaro, Hevila, Seychell, Brandon, Gieseler, Henry, Melo, Diogo, Zaitsev-Doyle, Jo J, Norton-Baker, Brenna, Knoska, Juraj, Gisel Esperanza, Aida Rahmani Mashhour, Guicking, Filip, Hennicke, Vincent, Fischer, Pontus, Rogers, Cromarte, Monteiro, Diana C F, Hakanpää, Johanna, Meyer, Jan, Noei, Heshmat, Gribbon, Phil, Ellinger, Bernhard, Kuzikov, Maria, Wolf, Markus, Zhang, Linlin, Sun, Xinyuanyuan, Pletzer-Zelgert, Jonathan, Wollenhaupt, Jan, Feiler, Christian, Weiss, Manfred, Schulz, Eike-Christian, Mehrabi, Pedram, Schmidt, Christina, Schubert, Robin, Han, Huijong, Krichel, Boris, Fernández-García, Yaiza, Escudero-Pérez, Beatriz, Günther, Stephan, Turk, Dusan, Uetrecht, Charlotte, Beck, Tobias, Tidow, Henning, Chari, Aschwin, Zaliani, Andrea, Rarey, Matthias, Cox, Russel, Hilgenfeld, Rolf, Chapman, Henry N, Pearson, Arwen R, Betzel, Christian, Meents, Alke
Published in bioRxiv (04.05.2020)

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