Quantum chemical studies of mechanisms for metalloenzymes

MRA Blomberg, T Borowski, F Himo, RZ Liao… - Chemical …, 2014 - ACS Publications
Two decades ago, theoretical model calculations played a truly minor role in understanding
mechanisms of redox-active metalloenzymes. The methods available to treat transition …

Nucleases: diversity of structure, function and mechanism

W Yang - Quarterly reviews of biophysics, 2011 - cambridge.org
Nucleases cleave the phosphodiester bonds of nucleic acids and may be endo or exo,
DNase or RNase, topoisomerases, recombinases, ribozymes, or RNA splicing enzymes. In …

Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular …

A Ardèvol, C Rovira - Journal of the American Chemical Society, 2015 - ACS Publications
Carbohydrate-active enzymes such as glycoside hydrolases (GHs) and glycosyltransferases
(GTs) are of growing importance as drug targets. The development of efficient competitive …

Early steps in the DNA base excision/single-strand interruption repair pathway in mammalian cells

ML Hegde, TK Hazra, S Mitra - Cell research, 2008 - nature.com
Base excision repair (BER) is an evolutionarily conserved process for maintaining genomic
integrity by eliminating several dozen damaged (oxidized or alkylated) or inappropriate …

Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics

L Casalino, Ł Nierzwicki, M Jinek, G Palermo - ACS catalysis, 2020 - ACS Publications
CRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease
Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is …

[HTML][HTML] Human flap endonuclease structures, DNA double-base flipping, and a unified understanding of the FEN1 superfamily

SE Tsutakawa, S Classen, BR Chapados, AS Arvai… - Cell, 2011 - cell.com
Summary Flap endonuclease (FEN1), essential for DNA replication and repair, removes
RNA and DNA 5′ flaps. FEN1 5′ nuclease superfamily members acting in nucleotide …

[HTML][HTML] Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced …

S Classen, GL Hura, JM Holton, RP Rambo… - Journal of applied …, 2013 - scripts.iucr.org
The SIBYLS beamline (12.3. 1) of the Advanced Light Source at Lawrence Berkeley
National Laboratory, supported by the US Department of Energy and the National Institutes …

Monovalent metal ion binding promotes the first transesterification reaction in the spliceosome

J Aupič, J Borišek, SM Fica, WP Galej… - Nature …, 2023 - nature.com
Cleavage and formation of phosphodiester bonds in nucleic acids is accomplished by large
cellular machineries composed of both protein and RNA. Long thought to rely on a two …

Catalytic metal ions and enzymatic processing of DNA and RNA

G Palermo, A Cavalli, ML Klein… - Accounts of chemical …, 2015 - ACS Publications
Conspectus Two-metal-ion-dependent nucleases cleave the phosphodiester bonds of
nucleic acids via the two-metal-ion (2M) mechanism. Several high-resolution X-ray …

The DNA Exonucleases of Escherichia coli

ST Lovett - EcoSal Plus, 2011 - Am Soc Microbiol
DNA exonucleases, enzymes that hydrolyze phosphodiester bonds in DNA from a free end,
play important cellular roles in DNA repair, genetic recombination and mutation avoidance …