X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
…, J Knoska, GE Peña-Murillo, AR Mashhour… - Science, 2021 - science.org
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous human
suffering. To date, no effective drug is available to directly treat the disease. In a search for …
suffering. To date, no effective drug is available to directly treat the disease. In a search for …
Time-resolved crystallography captures light-driven DNA repair
Photolyase is an enzyme that uses light to catalyze DNA repair. To capture the reaction
intermediates involved in the enzyme’s catalytic cycle, we conducted a time-resolved …
intermediates involved in the enzyme’s catalytic cycle, we conducted a time-resolved …
[HTML][HTML] Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease
…, F Trost, M Galchenkova, AR Mashhour… - Communications …, 2022 - nature.com
SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the cysteine-protease
activity, facilitating cleavage of the viral polypeptide chain, PLpro has the additional …
activity, facilitating cleavage of the viral polypeptide chain, PLpro has the additional …
[HTML][HTML] Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections
…, J Loboda, A Herrmann, A Rahmani Mashhour… - Communications …, 2023 - nature.com
Several drug screening campaigns identified Calpeptin as a drug candidate against SARS-CoV-2.
Initially reported to target the viral main protease (M pro ), its moderate activity in M …
Initially reported to target the viral main protease (M pro ), its moderate activity in M …
Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX
…, PL Xavier, A Rahmani Mashhour… - Proceedings of the …, 2023 - National Acad Sciences
The Lysinibacillus sphaericus proteins Tpp49Aa1 and Cry48Aa1 can together act as a toxin
toward the mosquito Culex quinquefasciatus and have potential use in biocontrol. Given that …
toward the mosquito Culex quinquefasciatus and have potential use in biocontrol. Given that …
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
…, J Knoska, GE Peña Murillo, AR Mashhour… - 2020 - xfel.tind.io
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health
problems and economical challenges for mankind. To date, no effective drug is available to …
problems and economical challenges for mankind. To date, no effective drug is available to …
[HTML][HTML] An Optimized Approach for Serial Crystallography Using Chips
M Galchenkova, A Rahmani Mashhour, PYA Reinke… - Crystals, 2023 - mdpi.com
Serial crystallography is a rapidly developing method for the determination of the structure
of biomolecules at room temperature at near-atomic resolution from an ensemble of small …
of biomolecules at room temperature at near-atomic resolution from an ensemble of small …
Massive X-ray screening reveals two allosteric drug binding sites of SARS-CoV-2 main protease
…, J Knoska, GE Peña Murillo, AR Mashhour… - bioRxiv, 2020 - biorxiv.org
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health
problems and economical challenges for mankind. To date, no effective drug is available to …
problems and economical challenges for mankind. To date, no effective drug is available to …
Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease
…, J Knoska, G Esperanza, AR Mashhour… - bioRxiv, 2020 - biorxiv.org
Here we present the crystal structure of SARS-CoV-2 main protease (M pro ) covalently
bound to 2-methyl-1-tetralone. This complex was obtained by co-crystallization of M pro with …
bound to 2-methyl-1-tetralone. This complex was obtained by co-crystallization of M pro with …
[PDF][PDF] Optimized approach for serial synchrotron crystallography using chips
M Galchenkova, AR Mashhour, PYA Reinke, J Meyer… - bib-pubdb1.desy.de
Serial crystallography is a rapidly developing field that makes it possible to determine the
structure of biomolecules at room temperature with atomic resolution. Numerous advances in …
structure of biomolecules at room temperature with atomic resolution. Numerous advances in …