Arwen R. Pearson
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Demonstration of Advanced Timing Schemes in Time-Resolved X-ray Diffraction Measurements Open
We present time-resolved X-ray diffraction measurements using advanced timing schemes that provide high temporal resolution while also maintaining a high flux in the X-ray probe beam. The method employs on-off patterned probe pulse sequenc…
Decision-making in serial crystallography: a simple test to quickly determine whether sufficient data have been collected Open
In standard rotational data collection for macromolecular crystallography data are normally collected from a single crystal, and the resulting data processing delivers metrics for data completeness and signal to noise that are well establi…
View article: The <i>in crystallo</i> optical spectroscopy toolbox
The <i>in crystallo</i> optical spectroscopy toolbox Open
Over the past ten years, there has been a surge in the demand for in crystallo optical spectroscopy ( ic OS), since optical spectroscopy is one of the few biophysical characterization methods applicable to both protein solutions and crysta…
Demonstration of Advanced Timing Schemes in Time-Resolved X-ray Diffraction Measurements Open
We present time-resolved X-ray diffraction measurements using advanced timing schemes that provide high temporal resolution while also maintaining a high flux in the X-ray probe beam. The method employs patterned probe pulse sequences that…
View article: Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography
Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography Open
OaPAC is a recently discovered blue-light-using flavin adenosine dinucleotide (BLUF) photoactivated adenylate cyclase from the cyanobacterium Oscillatoria acuminata that uses adenosine triphosphate and translates the light signal into the …
Power Density Titration of Reversible Photoisomerization of a Fluorescent Protein Chromophore in the Presence of Thermally Driven Barrier Crossing Shown by Quantitative Millisecond Serial Synchrotron X-ray Crystallography Open
We present millisecond quantitative serial X-ray crystallography at 1.7 Å resolution demonstrating precise optical control of reversible population transfer from Trans-Cis and Cis-Trans photoisomerization of a reversibly switchable fluores…
View article: Crystal structure of a bacterial photoactivated adenylate cyclase determined at room temperature by serial femtosecond crystallography
Crystal structure of a bacterial photoactivated adenylate cyclase determined at room temperature by serial femtosecond crystallography Open
OaPAC is a recently discovered b lue-light u sing flavin adenosine dinucleotide (BLUF) photoactivated adenylate cyclase from the cyanobacterium Oscillatoria acuminata that uses adenosine triphosphate and translates the light signal into th…
Investigation of how gate residues in the main channel affect the catalytic activity of <i>Scytalidium thermophilum</i> catalase Open
Catalase is an antioxidant enzyme that breaks down hydrogen peroxide (H 2 O 2 ) into molecular oxygen and water. In all monofunctional catalases the pathway that H 2 O 2 takes to the catalytic centre is via the `main channel'. However, the…
View article: Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design Open
Besides vaccines, the development of antiviral drugs targeting SARS-CoV-2 is critical for preventing future COVID outbreaks. The SARS-CoV-2 main protease (M pro ), a cysteine protease with essential functions in viral replication, has been…
View article: Light-induced Trpin/Metout Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC
Light-induced Trpin/Metout Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC Open
The understanding of signal transduction mechanisms in photoreceptor proteins is essential for elucidating how living organisms respond to light as environmental stimuli. In this study, we investigated the ATP binding, photoactivation and …
View article: Light-induced Trpin/Metout switching during BLUF domain activation in ATP-bound photoactivatable adenylate cyclase OaPAC
Light-induced Trpin/Metout switching during BLUF domain activation in ATP-bound photoactivatable adenylate cyclase OaPAC Open
The understanding of signal transduction mechanisms in photoreceptor proteins is essential for elucidating how living organisms respond to light as environmental stimuli. In this study, we investigated the ATP binding, photoactivation and …
View article: An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin
An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin Open
1 Abstract Human gamma-D crystallin (HGD) is the major constituent of the eye lens. Aggregation of HGD contributes to cataract formation, the leading cause of blindness worldwide. It is unique in its longevity, maintaining its folded and s…
A standard descriptor for fixed-target serial crystallography Open
Fixed-target crystallography has become a widely used approach for serial crystallography at both synchrotron and X-ray free-electron laser (XFEL) sources. A plethora of fixed targets have been developed at different facilities and by vari…
View article: Multiple redox switches of the SARS-CoV-2 main protease in vitro provide new opportunities for drug design
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide new opportunities for drug design Open
Besides vaccines, the development of antiviral drugs targeting SARS-CoV-2 is critical for stopping the current COVID-19 pandemic and preventing future outbreaks. The SARS-CoV-2 main protease (Mpro), a cysteine protease with essential funct…
Functional and structural asymmetry suggest a unifying principle for catalysis in integral membrane-bound pyrophosphatases Open
Membrane-bound pyrophosphatases (M-PPases) are homodimeric primary ion pumps that couple the transport of Na + - and/or H + across membranes to the hydrolysis of pyrophosphate. Their role in the virulence of protist pathogens like Plasmodi…
View article: Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease
Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease Open
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 and vital function of removing ubiquitin and ISG15 (In…
View article: Redox regulation of the SARS-CoV-2 main protease provides new opportunities for drug design
Redox regulation of the SARS-CoV-2 main protease provides new opportunities for drug design Open
A bstract Besides vaccines, the development of antiviral drugs targeting SARS-CoV-2 is critical for stopping the current COVID-19 pandemic and preventing future outbreaks. The SARS-CoV-2 main protease (M pro ), a cysteine protease with ess…
View article: Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with <scp>d</scp>-serine in aqueous solution
Structure and diffusive dynamics of aspartate α-decarboxylase (ADC) liganded with <span>d</span>-serine in aqueous solution Open
Neutron spectroscopy, dynamic light scattering, X-ray diffraction, and MD-simulations were used to investigate the effect of ligand binding on the structure and diffusive dynamics of Escherichia coli aspartate alpha-decarboxylase.
View article: SARS-CoV-2 papain-like protease PLpro in complex with natural compounds reveal allosteric sites for antiviral drug design
SARS-CoV-2 papain-like protease PLpro in complex with natural compounds reveal allosteric sites for antiviral drug design Open
SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the cysteine-protease activity, PLpro has the additional and vital function of removing ubiquitin and ISG15 (Interferon-stimulated gene 15) from host-cell proteins t…
Using photocaging for fast time-resolved structural biology studies Open
Careful selection of photocaging approaches is critical to achieve fast and well synchronized reaction initiation and perform successful time-resolved structural biology experiments. This review summarizes the best characterized and most r…
Time-resolved macromolecular crystallography: no longer a niche pursuit? Open
The advances over the last decade in ultrabright X-ray sources have reinvigorated interest in time-resolved structural biology.Importantly, many of the time-scales of interest to structural biology are in fact accessible using serial cryst…
View article: An objective metric to guide background correction and interpretation of small-angle X-ray scattering data
An objective metric to guide background correction and interpretation of small-angle X-ray scattering data Open
Small-angle X-ray scattering (SAXS) experiments provide an estimation of biological macromolecule geometry on the level of domain structure.The reliability of structural inference drawn from SAXS data is dependent on the accurate measureme…
View article: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease Open
A large-scale screen to target SARS-CoV-2 The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome is initially expressed as two large polyproteins. Its main protease, M pro , is essential to yield functional viral proteins,…
View article: X-ray-Based Techniques to Study the Nano–Bio Interface
X-ray-Based Techniques to Study the Nano–Bio Interface Open
X-ray-based analytics are routinely applied in many fields, including physics, chemistry, materials science, and engineering. The full potential of such techniques in the life sciences and medicine, however, has not yet been fully exploite…
Homogeneous batch micro-crystallization of proteins from ammonium sulfate Open
The emergence of X-ray free-electron lasers has led to the development of serial macromolecular crystallography techniques, making it possible to study smaller and more challenging crystal systems and to perform time-resolved studies on fa…
Serial synchrotron crystallography for time-resolved structural biology Open
The current state-of-the-art experiments in time-resolved structural biology are undoubtedly the recent extremely impressive results that are emerging from XFEL-based experiments. However, there is a large range of macromolecular systems w…
View article: Diffusive dynamics of Aspartate<i>α</i>-decarboxylase (ADC) liganded with D-serine in aqueous solution
Diffusive dynamics of Aspartate<i>α</i>-decarboxylase (ADC) liganded with D-serine in aqueous solution Open
Incoherent neutron spectroscopy, in combination with dynamic light scattering was used to investigate the effect of ligand binding on the center-of-mass self-diffusion and internal diffusive dynamics of E.coli aspartate α -decarboxylase (A…