Utility of B-factors in protein science: interpreting rigidity, flexibility, and internal motion and engineering thermostability
Z Sun, Q Liu, G Qu, Y Feng, MT Reetz - Chemical reviews, 2019 - ACS Publications
The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …
displacement parameter, is used in protein crystallography to describe the attenuation of X …
Epoxide hydrolases: multipotential biocatalysts
M Bučko, K Kaniaková, H Hronská, P Gemeiner… - International Journal of …, 2023 - mdpi.com
Epoxide hydrolases are attractive and industrially important biocatalysts. They can catalyze
the enantioselective hydrolysis of epoxides to the corresponding diols as chiral building …
the enantioselective hydrolysis of epoxides to the corresponding diols as chiral building …
Modeling enzymatic enantioselectivity using quantum chemical methodology
The computational study of enantioselective reactions is a challenging task that requires
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …
Structural insight into enantioselective inversion of an alcohol dehydrogenase reveals a “polar gate” in stereorecognition of diaryl ketones
J Zhou, Y Wang, G Xu, L Wu, R Han… - Journal of the …, 2018 - ACS Publications
Diaryl ketones are important building blocks for synthesizing pharmaceuticals and are
generally regarded as “difficult-to-reduce” ketones due to the large steric hindrance of their …
generally regarded as “difficult-to-reduce” ketones due to the large steric hindrance of their …
Computational-aided engineering of a selective unspecific peroxygenase toward enantiodivergent β-ionone hydroxylation
Unspecific peroxygenases (UPOs) perform oxyfunctionalizations for a wide range of
substrates utilizing H2O2 without the need for further reductive equivalents or electron …
substrates utilizing H2O2 without the need for further reductive equivalents or electron …
Focused rational iterative site-specific mutagenesis (FRISM): a powerful method for enzyme engineering
Y Bao, Y Xu, X Huang - Molecular Catalysis, 2024 - Elsevier
The FRISM strategy has emerged as one of the most efficient methods for protein
engineering. It involves the identification of hotspots, which is usually rationalized through …
engineering. It involves the identification of hotspots, which is usually rationalized through …
Engineering P450 Monooxygenases for Highly Regioselective and Active p-Hydroxylation of m-Alkylphenols
RJ Li, K Tian, X Li, AR Gaikaiwari, Z Li - ACS Catalysis, 2022 - ACS Publications
Regioselective hydroxylations of aromatic compounds are useful reactions but often lack
appropriate catalysts. Here a group of P450BM3 mutants (R47I/A82F/A328F …
appropriate catalysts. Here a group of P450BM3 mutants (R47I/A82F/A328F …
Directed Evolution of l-Threonine Aldolase for the Diastereoselective Synthesis of β-Hydroxy-α-amino Acids
W Zheng, H Yu, S Fang, K Chen, Z Wang… - ACS …, 2021 - ACS Publications
l-Threonine aldolase (LTA) is an attractive tool in organic chemistry for catalyzing the
formation of β-hydroxy-α-amino acids with two chiral centers. The enzyme has a strict …
formation of β-hydroxy-α-amino acids with two chiral centers. The enzyme has a strict …
Hydrophilicity‐based engineering of the active pocket of D‐amino acid oxidase leading to highly improved specificity toward D‐glufosinate
K Yang, B Huang, C Amanze, Z Yan, G Qiu… - Angewandte …, 2022 - Wiley Online Library
Due to its stringent stereospecificity, D‐amino acid oxidase (DAAO) has made it very easy to
synthesize L‐amino acids. However, the low activity of the wild‐type enzyme toward …
synthesize L‐amino acids. However, the low activity of the wild‐type enzyme toward …
Accessing chemo-and regioselective benzylic and aromatic oxidations by protein engineering of an unspecific peroxygenase
A Knorrscheidt, J Soler, N Hünecke… - ACS …, 2021 - ACS Publications
Unspecific peroxygenases (UPOs) enable oxyfunctionalizations of a broad substrate range
with unparalleled activities. Tailoring these enzymes for chemo-and regioselective …
with unparalleled activities. Tailoring these enzymes for chemo-and regioselective …