Frozen in time: analyzing molecular dynamics with time-resolved cryo-EM

SJ Amann, D Keihsler, T Bodrug, NG Brown… - Structure, 2023 - cell.com
Molecular machines, such as polymerases, ribosomes, or proteasomes, fulfill complex tasks
requiring the thermal energy of their environment. They achieve this by restricting random …

Hybrid quantum mechanical/molecular mechanical methods for studying energy transduction in biomolecular machines

T Kubař, M Elstner, Q Cui - Annual review of biophysics, 2023 - annualreviews.org
Hybrid quantum mechanical/molecular mechanical (QM/MM) methods have become
indispensable tools for the study of biomolecules. In this article, we briefly review the basic …

Terminal deoxynucleotidyl transferase combined CRISPR-Cas12a amplification strategy for ultrasensitive detection of uracil-DNA glycosylase with zero background

YC Du, SY Wang, YX Wang, JY Ma, DX Wang… - Biosensors and …, 2021 - Elsevier
A simple and highly sensitive biosensing strategy was reported by cascading terminal
deoxynucleotidyl transferase (TdT)-catalyzed substrate extension and CRISPR-Cas12a …

Two-metal-ion catalysis: Inhibition of DNA polymerase activity by a third divalent metal ion

J Wang, WH Konigsberg - Frontiers in Molecular Biosciences, 2022 - frontiersin.org
Almost all DNA polymerases (pols) exhibit bell-shaped activity curves as a function of both
pH and Mg2+ concentration. The pol activity is reduced when the pH deviates from the …

Terminal deoxynucleotidyl transferase in the synthesis and modification of nucleic acids

I Sarac, M Hollenstein - ChemBioChem, 2019 - Wiley Online Library
The terminal deoxynucleotidyl transferase (TdT) belongs to the X family of DNA
polymerases. This unusual polymerase catalyzes the template‐independent addition of …

Rational design of nonbonded point charge models for divalent metal cations with Lennard-Jones 12-6 potential

Y Zhang, Y Jiang, J Peng, H Zhang - Journal of Chemical …, 2021 - ACS Publications
Exploring a metal-involved biochemical process at a molecular level often requires a
reliable description of metal properties in aqueous solution by classical nonbonded models …

[HTML][HTML] Structural and molecular kinetic features of activities of DNA polymerases

AA Kuznetsova, OS Fedorova… - International journal of …, 2022 - mdpi.com
DNA polymerases catalyze DNA synthesis during the replication, repair, and recombination
of DNA. Based on phylogenetic analysis and primary protein sequences, DNA polymerases …

The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme

R Kaur, MM Aboelnga, DJ Nikkel… - Physical Chemistry …, 2022 - pubs.rsc.org
Nucleases catalyze the cleavage of phosphodiester bonds in nucleic acids using a range of
metal cofactors. Although it is well accepted that many nucleases rely on two metal ions, the …

A DNA structure-mediated fluorescent biosensor for apurinic/apyrimidinic endonuclease 1 activity detection with ultra-high sensitivity and selectivity

Y Hu, Z Zhang, W Ye, W Zhang, M Hu, W Yuan… - Sensors and Actuators B …, 2021 - Elsevier
Human apurinic/apyrimidinic endonuclease 1 (APE1) plays a crucial role in DNA repair and
gene regulation. The abnormal variations of the concentration of APE1 in the human blood …

An updated structural classification of replicative DNA polymerases

P Raia, M Delarue, L Sauguet - Biochemical Society …, 2019 - portlandpress.com
Replicative DNA polymerases are nano-machines essential to life, which have evolved the
ability to copy the genome with high fidelity and high processivity. In contrast with cellular …