[HTML][HTML] Structural biology in the age of X-ray free-electron lasers and exascale computing

S Mous, F Poitevin, MS Hunter, DN Asthagiri… - Current Opinion in …, 2024 - Elsevier
Serial femtosecond X-ray crystallography has emerged as a powerful method for
investigating biomolecular structure and dynamics. With the new generation of X-ray free …

XFEL Beamline Optical Instrumentation for Ultrafast Science

CDM Hutchison, S Perrett… - The Journal of Physical …, 2024 - ACS Publications
Free electron lasers operating in the soft and hard X-ray regime provide capabilities for
ultrafast science in many areas, including X-ray spectroscopy, diffractive imaging, solution …

Protein engineering a PhotoRNR chimera based on a unifying evolutionary apparatus among the natural classes of ribonucleotide reductases

DY Song, JA Stubbe… - Proceedings of the …, 2024 - National Acad Sciences
Ribonucleotide reductases (RNRs) are essential enzymes that catalyze the de novo
transformation of nucleoside 5′-di (tri) phosphates [ND (T) Ps, where N is A, U, C, or G] to …

Filming DNA repair at the atomic level

MH Vos - Science, 2023 - science.org
Enzymes catalyze biochemical reactions at high rates and specificity. The structural
characterization of transition states and intermediates of enzymatic catalysis at the atomic …

[HTML][HTML] Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations

M Balicki, M Śmiechowski - Molecules, 2024 - mdpi.com
N-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in
conditions such as sickle cell disease and β-thalassemia, among others. To date, its …

Non-Canonical Tryptophan Synthesis Enabled by Larock Umpolung

JZ Huang, VY Ying, MR Seyedsayamdost - 2024 - chemrxiv.org
Tryptophan plays a critical role in diverse natural products, biological processes, and
pharmaceutical molecules. Facile access to this amino acid and its analogues from readily …

[HTML][HTML] A missense mutation in the suc22 gene encoding the small subunit of ribonucleotide reductase significantly sensitizes fission yeast to chronic treatment with …

K Davi, I Yurtsever, Y Xu - Micropublication Biology, 2023 - ncbi.nlm.nih.gov
Ribonucleotide reductase (RNR) is essential for the biosynthesis of dNTPs and a
therapeutic target. We have identified a missense mutation in suc22, which encodes the …

[PDF][PDF] Structural Biology in the age of X-ray Free Electron Lasers and Exascale Computing Sandra Mous, Frédéric Poitevin, Mark S. Hunter, Dilipkumar N. Asthagiri

TL Beck - newswise.com
Serial femtosecond X-ray crystallography has emerged as a powerful method for
investigating biomolecular structure and dynamics. With the new generation of X-ray free …

[PDF][PDF] Conformational Control over Proton-Coupled Electron Transfer in Metalloenzymes

S Fatima, L Olshansky - osf.io
From the reduction of dinitrogen to the oxidation of water, the chemical transformations
catalyzed by metalloenzymes underlie global geo-and biochemical cycles. These reactions …