Rational design of enzyme activity and enantioselectivity

Hot spots-making directed evolution easier

(2022) Haoran Yu et al.   BIOTECHNOLOGY ADVANCES

Significant Improvement of Both Catalytic Efficiency and Stability of Fructosyltransferase from Aspergillus niger by Structure-Guided Engineering of Key Residues in the Conserved Sequence of the Catalytic Domain

(2022) Yuanyuan Xia et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Sequence and Structure-Guided Engineering of Urethanase from Agrobacterium tumefaciens d3 for Improved Catalytic Activity

(2022) Xiumiao Yao et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Machine learning-coupled combinatorial mutagenesis enables resource-efficient engineering of CRISPR-Cas9 genome editor activities

(2022) Dawn G. L. Thean et al.   Nature Communications

Leveraging intrinsic flexibility to engineer enhanced enzyme catalytic activity

(2022) Christos S. Karamitros et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Scaffolding protein functional sites using deep learning

(2022) Jue Wang et al.   SCIENCE

Altering the substrate specificity of recombinant l-rhamnose isomerase from Thermoanaerobacterium saccharolyticum NTOU1 to favor d-allose production

(2022) Wen-Chi Tseng et al.   JOURNAL OF BIOTECHNOLOGY

Computational Redesign of the Substrate Binding Pocket of Glutamate Dehydrogenase for Efficient Synthesis of Noncanonical l-Amino Acids

(2022) Ziyuan Wang et al.   ACS Catalysis

Flexibility Regulation of Loops Surrounding the Tunnel Entrance in Cytochrome P450 Enhanced Substrate Access Substantially

(2022) Zhongyu Li et al.   ACS Catalysis

Engineering the hydrogen transfer pathway of an alcohol dehydrogenase to increase activity by rational enzyme design

(2022) Yingying Jiang et al.   Molecular Catalysis

Sequence-guided stereo-enhancing and -inverting of (R)-styrene monooxygenases for highly enantioselective epoxidation

(2022) Yan Liu et al.   Molecular Catalysis

Mutability‐Landscape‐Guided Engineering of l ‐Threonine Aldolase Revealing the Prelog Rule in Mediating Diastereoselectivity of C−C Bond Formation

(2022) Wenlong Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Engineering a Medium‐chain Alcohol Dehydrogenase for Efficient Synthesis of ( S )‐N−Boc‐3−pyrrolidinol by Adjusting the Conformational Dynamics of Loops

(2022) Wenjie Ye et al.   ChemCatChem

Redesigning an (R)-Selective Transaminase for the Efficient Synthesis of Pharmaceutical N-Heterocyclic Amines

(2022) Fulong Li et al.   ACS Catalysis

Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates

(2022) Tao Wu et al.   ACS Catalysis

Computation-Aided Engineering of Cytochrome P450 for the Production of Pravastatin

(2022) Mark A. Ashworth et al.   ACS Catalysis

Electronic Effect‐guided Rational Design of Candida antarctica Lipase B for Kinetic Resolution Towards Diarylmethanols

(2021) Danyang Li et al.   ADVANCED SYNTHESIS & CATALYSIS

Crystal Structures and Catalytic Mechanism of l‐erythro‐3,5‐Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of β‐Amino Acids

(2021) Na Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Active-site loop variations adjust activity and selectivity of the cumene dioxygenase

(2021) Peter M. Heinemann et al.   Nature Communications

Enhancing Enantioselectivity of Candida antarctica Lipase B towards Chiral sec-Alcohols Bearing Small Substituents Through Hijacking Sequence of A Homolog

(2021) Seonghyeon Yi et al.   TETRAHEDRON LETTERS

Development of a versatile and efficient C–N lyase platform for asymmetric hydroamination via computational enzyme redesign

(2021) Yinglu Cui et al.   Nature Catalysis

Engineering of Yeast Old Yellow Enzyme OYE3 Enables Its Capability Discriminating of (E)-Citral and (Z)-Citral

(2021) Tairan Wang et al.   MOLECULES

Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase

(2021) Yu-Fei Ao et al.   ACS Catalysis

Protein engineering of the aldoxime dehydratase from Bacillus sp. OxB-1 based on a rational sequence alignment approach

(2021) Keiko Oike et al.   Scientific Reports

Rational Design for Enhanced Acyltransferase Activity in Water Catalyzed by the Pyrobaculum calidifontis VA1 Esterase

(2021) Amanda Staudt et al.   Microorganisms

Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline‐Induced Loop Engineering Test

(2021) Ge Qu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dual-function enzyme catalysis for enantioselective carbon–nitrogen bond formation

(2021) Zhen Liu et al.   Nature Chemistry

Using multiple site-directed modification of epoxide hydrolase to significantly improve its enantioselectivity in hydrolysis of rac-glycidyl phenyl ether

(2020) Yao Li et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Greatly enhancing the enantioselectivity of PvEH2, a Phaseolus vulgaris epoxide hydrolase, towards racemic 1,2-epoxyhexane via replacing its partial cap-loop

(2020) Chuang Li et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Construction of a Highly Diastereoselective Aldol Reaction System with l-Threonine Aldolase by Computer-Assisted Rational Molecular Modification and Medium Engineering

(2020) Wenlong Zheng et al.   ORGANIC LETTERS

Conformational Dynamics‐Guided Loop Engineering of an Alcohol Dehydrogenase: Capture, Turnover and Enantioselective Transformation of Difficult‐to‐Reduce Ketones

(2019) Beibei Liu et al.   ADVANCED SYNTHESIS & CATALYSIS

Semi-rationally engineered variants of S-adenosylmethionine synthetase from Escherichia coli with reduced product inhibition and improved catalytic activity

(2019) Xiu Wang et al.   ENZYME AND MICROBIAL TECHNOLOGY

Consensus sequence design as a general strategy to create hyperstable, biologically active proteins

(2019) Matt Sternke et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Machine-learning-guided directed evolution for protein engineering

(2019) Kevin K. Yang et al.   NATURE METHODS

Computer‐based engineering of thermostabilized antibody fragments

(2019) Jiwon Lee et al.   AICHE JOURNAL

Unified rational protein engineering with sequence-based deep representation learning

(2019) Ethan C. Alley et al.   NATURE METHODS

A Continuing Career in Biocatalysis: Frances H. Arnold

(2019) Rudi Fasan et al.   ACS Catalysis

Rational Design of Dehydrogenase/Reductases Based on Comparative Structural Analysis of Prereaction-State and Free-State Simulations for Efficient Asymmetric Reduction of Bulky Aryl Ketones

(2019) Bing-Mei Su et al.   ACS Catalysis

Machine Learning in Enzyme Engineering

(2019) Stanislav Mazurenko et al.   ACS Catalysis

Efficient reductive amination process for enantioselective synthesis of L-phosphinothricin applying engineered glutamate dehydrogenase

(2018) Xinjian Yin et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Computational redesign of enzymes for regio- and enantioselective hydroamination

(2018) Ruifeng Li et al.   Nature Chemical Biology

Rational Molecular Engineering of Glutamate Dehydrogenases for Enhancing Asymmetric Reductive Amination of Bulky α-Keto Acids

(2018) Xinjian Yin et al.   ADVANCED SYNTHESIS & CATALYSIS

Functional and informatics analysis enables glycosyltransferase activity prediction

(2018) Min Yang et al.   Nature Chemical Biology

In Silico Based Engineering Approach to Improve Transaminases for the Conversion of Bulky Substrates

(2018) Moritz Voss et al.   ACS Catalysis

Engineering of the Conformational Dynamics of Lipase To Increase Enantioselectivity

(2017) Bin Yang et al.   ACS Catalysis

Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids

(2017) Matthew J. Grisewood et al.   ACS Catalysis

Late Talkers: A Population-Based Study of Risk Factors and School Readiness Consequences

(2017) Carol Scheffner Hammer et al.   JOURNAL OF SPEECH LANGUAGE AND HEARING RESEARCH

Two strategies to engineer flexible loops for improved enzyme thermostability

(2017) Haoran Yu et al.   Scientific Reports

Structure-oriented substrate specificity engineering of aldehyde-deformylating oxygenase towards aldehydes carbon chain length

(2016) Luyao Bao et al.   Biotechnology for Biofuels

Enhancing protein stability with extended disulfide bonds

(2016) Tao Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enantioselective Enzymes by Computational Design and In Silico Screening

(2015) Hein J. Wijma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design

(2015) Tillmann Heinisch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational protein design enables a novel one-carbon assimilation pathway

(2015) Justin B. Siegel et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Development of β-Amino Acid Dehydrogenase for the Synthesis of β-Amino Acids via Reductive Amination of β-Keto Acids

(2015) Dalong Zhang et al.   ACS Catalysis

Rational design of esterase BioH with enhanced enantioselectivity towards methyl (S)-o-chloromandelate

(2014) Jiali Gu et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Improving Pseudomonas alcaligenes lipase’s diastereopreference in hydrolysis of diastereomeric mixture of menthyl propionate by site-directed mutagenesis

(2014) Hui Chen et al.   BIOTECHNOLOGY AND BIOPROCESS ENGINEERING

The Iterative Protein Redesign and Optimization (IPRO) suite of programs

(2014) Robert J. Pantazes et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Characterization and structure basis of Pseudomonas alcaligenes lipase's enantiopreference towards d,l-menthyl propionate

(2014) Hui Chen et al.   JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC

Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates

(2014) X.-D. Kong et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational design of a red fluorophore ligase for site-specific protein labeling in living cells

(2014) D. S. Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Engineering proteins for thermostability through rigidifying flexible sites

(2013) Haoran Yu et al.   BIOTECHNOLOGY ADVANCES

Protein disulfide engineering

(2013) Alan A. Dombkowski et al.   FEBS LETTERS

Directed evolution: Past, present, and future

(2012) Ryan E. Cobb et al.   AICHE JOURNAL

Enhancement of the enantioselectivity of carboxylesterase A by structure-based mutagenesis

(2012) Luis F. Godinho et al.   JOURNAL OF BIOTECHNOLOGY

RECENT ADVANCES IN RATIONAL APPROACHES FOR ENZYME ENGINEERING

(2012) Kerstin Steiner et al.   Computational and Structural Biotechnology Journal

Multiple sequence alignment-inspired mutagenesis of marine epoxide hydrolase of Mugil cephalus for enhancing enantioselective hydrolytic activity

(2011) Sung Hee Choi et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Rational Protein Design of Paenibacillus barcinonensis Esterase EstA for Kinetic Resolution of Tertiary Alcohols

(2010) Arnau Bassegoda et al.   ChemCatChem

Beyond directed evolution—semi-rational protein engineering and design

(2010) Stefan Lutz   CURRENT OPINION IN BIOTECHNOLOGY

In the light of directed evolution: Pathways of adaptive protein evolution

(2009) J. D. Bloom et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Engineered enzymes for chemical production

(2008) Stephan Luetz et al.   BIOTECHNOLOGY AND BIOENGINEERING