Fragment‐based screening targeting an open form of the SARS‐CoV‐2 main protease binding pocket
Huang, Chia-Ying, Metz, Alexander, Lange, Roland, Artico, Nadia, Potot, Céline, Hazemann, Julien, Müller, Manon, Dos Santos, Marina, Chambovey, Alain, Ritz, Daniel, Eris, Deniz, Meyer, Solange, Bourquin, Geoffroy, Sharpe, May, Mac Sweeney, Aengus
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2024)
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2024)
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Journal Article
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches
Hazemann, Julien, Kimmerlin, Thierry, Lange, Roland, Sweeney, Aengus Mac, Bourquin, Geoffroy, Ritz, Daniel, Czodrowski, Paul
Published in MedChemComm (19.06.2024)
Published in MedChemComm (19.06.2024)
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Journal Article
The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms
Mac Sweeney, Aengus, Chambovey, Alain, Wicki, Micha, Müller, Manon, Artico, Nadia, Lange, Roland, Bijelic, Aleksandar, Breibeck, Joscha, Rompel, Annette
Published in PloS one (27.06.2018)
Published in PloS one (27.06.2018)
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Journal Article
Small-molecule factor B inhibitor for the treatment of complement-mediated diseases
Schubart, Anna, Anderson, Karen, Mainolfi, Nello, Sellner, Holger, Ehara, Takeru, Adams, Christopher M., Sweeney, Aengus Mac, Liao, Sha-Mei, Crowley, Maura, Littlewood-Evans, Amanda, Sarret, Sophie, Wieczorek, Grazyna, Perrot, Ludovic, Dubost, Valérie, Flandre, Thierry, Zhang, Yuzhou, Smith, Richard J. H., Risitano, Antonio M., Karki, Rajeshri G., Zhang, Chun, Valeur, Eric, Sirockin, Finton, Gerhartz, Bernd, Erbel, Paulus, Hughes, Nicola, Smith, Thomas M., Cumin, Frederic, Argikar, Upendra A., Haraldsson, Börje, Mogi, Muneto, Sedrani, Richard, Wiesmann, Christian, Jaffee, Bruce, Maibaum, Jürgen, Flohr, Stefanie, Harrison, Richard, Eder, Jörg
Published in Proceedings of the National Academy of Sciences - PNAS (16.04.2019)
Published in Proceedings of the National Academy of Sciences - PNAS (16.04.2019)
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Journal Article
Inverse agonist efficacy of selatogrel blunts constitutive P2Y12 receptor signaling by inducing the inactive receptor conformation
Pons, Véronique, Garcia, Cédric, Tidten-Luksch, Naomi, Mac Sweeney, Aengus, Caroff, Eva, Galés, Céline, Riederer, Markus A.
Published in Biochemical pharmacology (01.12.2022)
Published in Biochemical pharmacology (01.12.2022)
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Journal Article
Small-molecule factor D inhibitors targeting the alternative complement pathway
Maibaum, Jürgen, Liao, Sha-Mei, Vulpetti, Anna, Ostermann, Nils, Randl, Stefan, Rüdisser, Simon, Lorthiois, Edwige, Erbel, Paul, Kinzel, Bernd, Kolb, Fabrice A, Barbieri, Samuel, Wagner, Julia, Durand, Corinne, Fettis, Kamal, Dussauge, Solene, Hughes, Nicola, Delgado, Omar, Hommel, Ulrich, Gould, Ty, Mac Sweeney, Aengus, Gerhartz, Bernd, Cumin, Frederic, Flohr, Stefanie, Schubart, Anna, Jaffee, Bruce, Harrison, Richard, Risitano, Antonio Maria, Eder, Jörg, Anderson, Karen
Published in Nature chemical biology (01.12.2016)
Published in Nature chemical biology (01.12.2016)
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Journal Article
Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors
Vulpetti, Anna, Randl, Stefan, Rüdisser, Simon, Ostermann, Nils, Erbel, Paul, Mac Sweeney, Aengus, Zoller, Thomas, Salem, Bahaa, Gerhartz, Bernd, Cumin, Frederic, Hommel, Ulrich, Dalvit, Claudio, Lorthiois, Edwige, Maibaum, Jürgen
Published in Journal of medicinal chemistry (09.03.2017)
Published in Journal of medicinal chemistry (09.03.2017)
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Journal Article
Insights into the Regulatory Mechanism for Caspase-8 Activation
Donepudi, Mrudula, Sweeney, Aengus Mac, Briand, Christophe, Grütter, Markus G
Published in Molecular cell (01.02.2003)
Published in Molecular cell (01.02.2003)
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Journal Article
Structure-based design and optimization of potent inhibitors of the adenoviral protease
Grosche, Philipp, Sirockin, Finton, Mac Sweeney, Aengus, Ramage, Paul, Erbel, Paul, Melkko, Samu, Bernardi, Anna, Hughes, Nicola, Ellis, David, Combrink, Keith D., Jarousse, Nadine, Altmann, Eva
Published in Bioorganic & medicinal chemistry letters (01.02.2015)
Published in Bioorganic & medicinal chemistry letters (01.02.2015)
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Journal Article
Modified microbatch and seeding in protein crystallization experiments
D'Arcy, Allan, Mac Sweeney, Aengus, Habera, Alexander
Published in Journal of synchrotron radiation (01.01.2004)
Published in Journal of synchrotron radiation (01.01.2004)
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Journal Article
Conference Proceeding
The 1.15 Å Crystal Structure of the Staphylococcus aureus Methionyl-aminopeptidase and Complexes with Triazole Based Inhibitors
Oefner, Christian, Douangamath, Alice, D'Arcy, Allan, Häfeli, Sascha, Mareque, Daniel, Mac Sweeney, Aengus, Padilla, Juan, Pierau, Sabine, Schulz, Henk, Thormann, Michael, Wadman, Sjoerd, Dale, Glenn E.
Published in Journal of molecular biology (05.09.2003)
Published in Journal of molecular biology (05.09.2003)
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Journal Article
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for drug design and computational chemistry approaches
Hazemann, Julien, Kimmerlin, Thierry, Lange, Roland, Sweeney, Aengus Mac, Bourquin, Geoffroy, Ritz, Daniel, Czodrowski, Paul
Published in RSC medicinal chemistry (19.06.2024)
Published in RSC medicinal chemistry (19.06.2024)
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Journal Article
Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria
Surivet, Jean-Philippe, Panchaud, Philippe, Specklin, Jean-Luc, Diethelm, Stefan, Blumstein, Anne-Catherine, Gauvin, Jean-Christophe, Jacob, Loïc, Masse, Florence, Mathieu, Gaëlle, Mirre, Azely, Schmitt, Christine, Lange, Roland, Tidten-Luksch, Naomi, Gnerre, Carmela, Seeland, Swen, Herrmann, Charlyse, Seiler, Peter, Enderlin-Paput, Michel, Mac Sweeney, Aengus, Wicki, Micha, Hubschwerlen, Christian, Ritz, Daniel, Rueedi, Georg
Published in Journal of medicinal chemistry (09.01.2020)
Published in Journal of medicinal chemistry (09.01.2020)
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Journal Article
Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases
Mainolfi, Nello, Ehara, Takeru, Karki, Rajeshri G., Anderson, Karen, Mac Sweeney, Aengus, Liao, Sha-Mei, Argikar, Upendra A., Jendza, Keith, Zhang, Chun, Powers, James, Klosowski, Daniel W., Crowley, Maura, Kawanami, Toshio, Ding, Jian, April, Myriam, Forster, Cornelia, Serrano-Wu, Michael, Capparelli, Michael, Ramqaj, Rrezarta, Solovay, Catherine, Cumin, Frederic, Smith, Thomas M., Ferrara, Luciana, Lee, Wendy, Long, Debby, Prentiss, Melissa, De Erkenez, Andrea, Yang, Louis, Liu, Fang, Sellner, Holger, Sirockin, Finton, Valeur, Eric, Erbel, Paulus, Ostermeier, Daniela, Ramage, Paul, Gerhartz, Bernd, Schubart, Anna, Flohr, Stefanie, Gradoux, Nathalie, Feifel, Roland, Vogg, Barbara, Wiesmann, Christian, Maibaum, Juergen, Eder, Joerg, Sedrani, Richard, Harrison, Richard A., Mogi, Muneto, Jaffee, Bruce D., Adams, Christopher M.
Published in Journal of medicinal chemistry (11.06.2020)
Published in Journal of medicinal chemistry (11.06.2020)
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Journal Article
Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo
Lorthiois, Edwige, Anderson, Karen, Vulpetti, Anna, Rogel, Olivier, Cumin, Frederic, Ostermann, Nils, Steinbacher, Stefan, Mac Sweeney, Aengus, Delgado, Omar, Liao, Sha-Mei, Randl, Stefan, Rüdisser, Simon, Dussauge, Solene, Fettis, Kamal, Kieffer, Laurence, de Erkenez, Andrea, Yang, Louis, Hartwieg, Constanze, Argikar, Upendra A, La Bonte, Laura R, Newton, Ronald, Kansara, Viral, Flohr, Stefanie, Hommel, Ulrich, Jaffee, Bruce, Maibaum, Jürgen
Published in Journal of medicinal chemistry (13.07.2017)
Published in Journal of medicinal chemistry (13.07.2017)
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Journal Article
Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway
Karki, Rajeshri G, Powers, James, Mainolfi, Nello, Anderson, Karen, Belanger, David B, Liu, Donglei, Ji, Nan, Jendza, Keith, Gelin, Christine F, Mac Sweeney, Aengus, Solovay, Catherine, Delgado, Omar, Crowley, Maura, Liao, Sha-Mei, Argikar, Upendra A, Flohr, Stefanie, La Bonte, Laura R, Lorthiois, Edwige L, Vulpetti, Anna, Brown, Ann, Long, Debby, Prentiss, Melissa, Gradoux, Nathalie, de Erkenez, Andrea, Cumin, Frederic, Adams, Christopher, Jaffee, Bruce, Mogi, Muneto
Published in Journal of medicinal chemistry (09.05.2019)
Published in Journal of medicinal chemistry (09.05.2019)
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Journal Article
Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D
Vulpetti, Anna, Ostermann, Nils, Randl, Stefan, Yoon, Taeyoung, Mac Sweeney, Aengus, Cumin, Frederic, Lorthiois, Edwige, Rüdisser, Simon, Erbel, Paul, Maibaum, Jürgen
Published in ACS medicinal chemistry letters (10.05.2018)
Published in ACS medicinal chemistry letters (10.05.2018)
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Journal Article
Discovery and Structure-Based Optimization of Adenain Inhibitors
Mac Sweeney, Aengus, Grosche, Philipp, Ellis, David, Combrink, Keith, Erbel, Paul, Hughes, Nicola, Sirockin, Finton, Melkko, Samu, Bernardi, Anna, Ramage, Paul, Jarousse, Nadine, Altmann, Eva
Published in ACS medicinal chemistry letters (14.08.2014)
Published in ACS medicinal chemistry letters (14.08.2014)
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Journal Article