[HTML][HTML] Engineering enzyme access tunnels

P Kokkonen, D Bednar, G Pinto, Z Prokop… - Biotechnology …, 2019 - Elsevier
Enzymes are efficient and specific catalysts for many essential reactions in biotechnological
and pharmaceutical industries. Many times, the natural enzymes do not display the catalytic …

Computational design of enzymes for biotechnological applications

J Planas-Iglesias, SM Marques, GP Pinto, M Musil… - Biotechnology …, 2021 - Elsevier
Enzymes are the natural catalysts that execute biochemical reactions upholding life. Their
natural effectiveness has been fine-tuned as a result of millions of years of natural evolution …

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

A Jurcik, D Bednar, J Byska, SM Marques… - …, 2018 - academic.oup.com
Motivation Studying the transport paths of ligands, solvents, or ions in transmembrane
proteins and proteins with buried binding sites is fundamental to the understanding of their …

Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport

J Stourac, O Vavra, P Kokkonen, J Filipovic… - Nucleic acids …, 2019 - academic.oup.com
Caver Web 1.0 is a web server for comprehensive analysis of protein tunnels and channels,
and study of the ligands' transport through these transport pathways. Caver Web is the first …

Structure-oriented engineering of amidase: modification of twisted access tunnel for efficient synthesis of 2-chloronicotinic acid

ZM Wu, F **e, W Zheng, CF Liu, CP Lin, RC Zheng… - ACS …, 2023 - ACS Publications
Amidases are robust biocatalysts for the industrial synthesis of carboxylic acids. Amidase-
catalyzed hydrolysis of 2-chloronicotinamide is regarded as a promising route for 2 …

Flexibility regulation of loops surrounding the tunnel entrance in cytochrome P450 enhanced substrate access substantially

Z Li, S Meng, K Nie, U Schwaneberg, MD Davari… - ACS …, 2022 - ACS Publications
In recent years, the engineering of flexible loops to improve enzyme properties has gained
attention in biocatalysis. Herein, we report a loop engineering strategy to improve the …

[HTML][HTML] Tunnel engineering of gas-converting enzymes for inhibitor retardation and substrate acceleration

SM Kim, SH Kang, BW Jeon, YH Kim - Bioresource Technology, 2024 - Elsevier
Carbon monoxide dehydrogenase (CODH), formate dehydrogenase (FDH), hydrogenase
(H2ase), and nitrogenase (N2ase) are crucial enzymatic catalysts that facilitate the …

Substrate inhibition by the blockage of product release and its control by tunnel engineering

P Kokkonen, A Beier, S Mazurenko… - RSC chemical …, 2021 - pubs.rsc.org
Substrate inhibition is the most common deviation from Michaelis–Menten kinetics, occurring
in approximately 25% of known enzymes. It is generally attributed to the formation of an …

The modular structure of α/β‐hydrolases

TL Bauer, PCF Buchholz, J Pleiss - The FEBS Journal, 2020 - Wiley Online Library
The α/β‐hydrolase fold family is highly diverse in sequence, structure and biochemical
function. To investigate the sequence–structure–function relationships, the Lipase …

Rational enzyme design by reducing the number of hotspots and library size

Z Qin, B Yuan, G Qu, Z Sun - Chemical Communications, 2024 - pubs.rsc.org
Biocatalysts that are eco-friendly, sustainable, and highly specific have great potential for
applications in the production of fine chemicals, food, detergents, biofuels, pharmaceuticals …