From random to rational: improving enzyme design through electric fields, second coordination sphere interactions, and conformational dynamics
Enzymes are versatile and efficient biological catalysts that drive numerous cellular
processes, motivating the development of enzyme design approaches to tailor catalysts for …
processes, motivating the development of enzyme design approaches to tailor catalysts for …
DNA replicases from a bacterial perspective
CS McHenry - Annual review of biochemistry, 2011 - annualreviews.org
Bacterial replicases are complex, tripartite replicative machines. They contain a polymerase,
polymerase III (Pol III), a β2 processivity factor, and a DnaX complex ATPase that loads β2 …
polymerase III (Pol III), a β2 processivity factor, and a DnaX complex ATPase that loads β2 …
Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
At the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9
introduces site-specific breaks in DNA. However, precise mechanistic information to …
introduces site-specific breaks in DNA. However, precise mechanistic information to …
Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
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 …
Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is …
Cap binding and immune evasion revealed by Lassa nucleoprotein structure
X Qi, S Lan, W Wang, LML Schelde, H Dong, GD Wallat… - Nature, 2010 - nature.com
Lassa virus, the causative agent of Lassa fever, causes thousands of deaths annually and is
a biological threat agent, for which there is no vaccine and limited therapy. The …
a biological threat agent, for which there is no vaccine and limited therapy. The …
Can second coordination sphere and long-range interactions modulate hydrogen atom transfer in a non-heme Fe (II)-dependent histone demethylase?
Fe (II)-dependent oxygenases employ hydrogen atom transfer (HAT) to produce a myriad of
products. Understanding how such enzymes use dynamic processes beyond the immediate …
products. Understanding how such enzymes use dynamic processes beyond the immediate …
Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations
E Rosta, M Nowotny, W Yang… - Journal of the American …, 2011 - ACS Publications
We use quantum mechanics/molecular mechanics simulations to study the cleavage of the
ribonucleic acid (RNA) backbone catalyzed by ribonuclease H. This protein is a prototypical …
ribonucleic acid (RNA) backbone catalyzed by ribonuclease H. This protein is a prototypical …
How human TET2 enzyme catalyzes the oxidation of unnatural cytosine modifications in double-stranded DNA
Methylation of cytosine bases is strongly linked to gene expression, imprinting, aging, and
carcinogenesis. The ten-eleven translocation (TET) family of enzymes, which are Fe (II)/2 …
carcinogenesis. The ten-eleven translocation (TET) family of enzymes, which are Fe (II)/2 …
Atomic and Electronic Structure Determinants Distinguish between Ethylene Formation and l-Arginine Hydroxylation Reaction Mechanisms in the Ethylene-Forming …
The ethylene-forming enzyme (EFE) is a non-heme Fe (II), 2-oxoglutarate (2OG), and l-
arginine (l-Arg)-dependent oxygenase that catalyzes dual reactions: the generation of …
arginine (l-Arg)-dependent oxygenase that catalyzes dual reactions: the generation of …
Computational characterization of the inhibition mechanism of xanthine oxidoreductase by topiroxostat
Xanthine oxidase (XO) is a member of the molybdopterin-containing enzyme family. It
interconverts xanthine to uric acid as the last step of purine catabolism in the human body …
interconverts xanthine to uric acid as the last step of purine catabolism in the human body …