YASARA: a tool to obtain structural guidance in biocatalytic investigations

H Land, MS Humble - Protein engineering: methods and protocols, 2018 - Springer
In biocatalysis, structural knowledge regarding an enzyme and its substrate interactions
complements and guides experimental investigations. Structural knowledge regarding an …

Structures of the calcium-activated, non-selective cation channel TRPM4

J Guo, J She, W Zeng, Q Chen, X Bai, Y Jiang - Nature, 2017 - nature.com
TRPM4 is a calcium-activated, phosphatidylinositol-4, 5-bisphosphate (PtdIns (4, 5) P2)-
modulated, non-selective cation channel that belongs to the family of melastatin-related …

Carboxylic ester hydrolases in bacteria: Active site, structure, function and application

C Oh, TD Kim, KK Kim - Crystals, 2019 - mdpi.com
Carboxylic ester hydrolases (CEHs), which catalyze the hydrolysis of carboxylic esters to
produce alcohol and acid, are identified in three domains of life. In the Protein Data Bank …

Structure, function, and regulation of thioesterases

CMD Swarbrick, JD Nanson, EI Patterson… - Progress in Lipid …, 2020 - Elsevier
Thioesterases are present in all living cells and perform a wide range of important biological
functions by catalysing the cleavage of thioester bonds present in a diverse array of cellular …

Impact of binding site comparisons on medicinal chemistry and rational molecular design

C Ehrt, T Brinkjost, O Koch - Journal of medicinal chemistry, 2016 - ACS Publications
Modern rational drug design not only deals with the search for ligands binding to interesting
and promising validated targets but also aims to identify the function and ligands of yet …

Monomeric Esterase: Insights into Cooperative Behavior, Hysteresis/Allokairy

TC Vinces, AS de Souza, CF Carvalho, AB Visnardi… - Biochemistry, 2024 - ACS Publications
Herein, we present a novel esterase enzyme, Ade1, isolated from a metagenomic library of
Amazonian dark earths soils, demonstrating its broad substrate promiscuity by hydrolyzing …

(p) ppGpp regulates a bacterial nucleosidase by an allosteric two-domain switch

YE Zhang, RL Baerentsen, T Fuhrer, U Sauer… - Molecular cell, 2019 - cell.com
The stringent response alarmones pppGpp and ppGpp are essential for rapid adaption of
bacterial physiology to changes in the environment. In Escherichia coli, the nucleosidase …

Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches

AJ Whitehouse, SE Thomas, KP Brown… - Journal of medicinal …, 2019 - ACS Publications
Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant
nontuberculous mycobacteria that has emerged as a growing threat to individuals with cystic …

Stepwise hydride transfer in a biological system: insights into the reaction mechanism of the light‐dependent protochlorophyllide oxidoreductase

N Archipowa, RJ Kutta, DJ Heyes… - Angewandte …, 2018 - Wiley Online Library
Hydride transfer plays a crucial role in a wide range of biological systems. However, its
mode of action (concerted or stepwise) is still under debate. Light‐dependent NADPH …

MoaB2, a newly identified transcription factor, binds to σA in Mycobacterium smegmatis

B Brezovská, S Narasimhan, M Šiková… - Journal of …, 2024 - journals.asm.org
In mycobacteria, σA is the primary sigma factor. This essential protein binds to RNA
polymerase (RNAP) and mediates transcription initiation of housekeeping genes. Our …