In Silico Identification of Potential Sites for a Plastic-Degrading Enzyme by a Reverse Screening through the Protein Sequence Space and Molecular Dynamics Simulations

Biodegradation of plastics for sustainable environment

(2022) Jyoti Singh Jadaun et al.   BIORESOURCE TECHNOLOGY

Production and waste treatment of polyesters: application of bioresources and biotechniques

(2022) Yaqun Wang et al.   CRITICAL REVIEWS IN BIOTECHNOLOGY

Structural and functional characterization of an auxiliary domain-containing PET hydrolase from Burkholderiales bacterium

(2022) Hye-Young Sagong et al.   JOURNAL OF HAZARDOUS MATERIALS

Machine learning-aided engineering of hydrolases for PET depolymerization

(2022) Hongyuan Lu et al.   NATURE

Directional-path modification strategy enhances PET hydrolase catalysis of plastic degradation

(2022) Xiao-Qian Chen et al.   JOURNAL OF HAZARDOUS MATERIALS

A polyesterase from the Antarctic bacterium Moraxella sp. degrades highly crystalline synthetic polymers

(2022) Efstratios Nikolaivits et al.   JOURNAL OF HAZARDOUS MATERIALS

Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy

(2021) Yinglu Cui et al.   ACS Catalysis

Enzyme Discovery and Engineering for Sustainable Plastic Recycling

(2021) Baotong Zhu et al.   TRENDS IN BIOTECHNOLOGY

Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding

(2021) Clauber Henrique Souza Costa et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Reaction Mechanism of the PET Degrading Enzyme PETase Studied with DFT/MM Molecular Dynamics Simulations

(2021) Carola Jerves et al.   ACS Catalysis

IsPETase- and IsMHETase-Catalyzed Cascade Degradation Mechanism toward Polyethylene Terephthalate

(2021) Shanshan Feng et al.   ACS Sustainable Chemistry & Engineering

An Efficient Protein Evolution Workflow for the Improvement of Bacterial PET Hydrolyzing Enzymes

(2021) Valentina Pirillo et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Plasmid-mediated catabolism for the removal of xenobiotics from the environment

(2021) Pankaj Bhatt et al.   JOURNAL OF HAZARDOUS MATERIALS

A Novel Polyester Hydrolase From the Marine Bacterium Pseudomonas aestusnigri – Structural and Functional Insights

(2020) Alexander Bollinger et al.   Frontiers in Microbiology

Effects of oligolignol sizes and binding modes on a GH11 xylanase inhibition revealed by molecular modeling techniques

(2020) Auwal Muhammad et al.   JOURNAL OF MOLECULAR MODELING

An engineered PET depolymerase to break down and recycle plastic bottles

(2020) V. Tournier et al.   NATURE

Recent advances in biocatalysts engineering for polyethylene terephthalate plastic waste green recycling

(2020) Nadia A. Samak et al.   ENVIRONMENT INTERNATIONAL

(−)-Kusunokinin as a Potential Aldose Reductase Inhibitor: Equivalency Observed via AKR1B1 Dynamics Simulation

(2020) Tanotnon Tanawattanasuntorn et al.   ACS Omega

Binding interaction of glyphosate with glyphosate oxidoreductase and C–P lyase: Molecular docking and molecular dynamics simulation studies

(2020) Pankaj Bhatt et al.   JOURNAL OF HAZARDOUS MATERIALS

Rational Protein Engineering of Thermo-Stable PETase from Ideonella sakaiensis for Highly Efficient PET Degradation

(2019) Hyeoncheol Francis Son et al.   ACS Catalysis

Predicting and Experimentally Validating Hot-Spot Residues at Protein–Protein Interfaces

(2019) Amaurys A. Ibarra et al.   ACS Chemical Biology

Synergistic effects between the additions of a disulphide bridge and an N-terminal hydrophobic sidechain on the binding pocket tilting and enhanced Xyn11A activity

(2019) Harit Boonyaputthikul et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Conformational fitting of a flexible oligomeric substrate does not explain the enzymatic PET degradation

(2019) Ren Wei et al.   Nature Communications

Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase

(2018) Tobias Fecker et al.   BIOPHYSICAL JOURNAL

Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis

(2018) Bing Liu et al.   CHEMBIOCHEM

Characterization and engineering of a plastic-degrading aromatic polyesterase

(2018) Harry P. Austin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation

(2018) Seongjoon Joo et al.   Nature Communications

Enzymatic hydrolysis of PET: functional roles of three Ca2+ ions bound to a cutinase-like enzyme, Cut190*, and its engineering for improved activity

(2018) Masayuki Oda et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Enhanced Poly(ethylene terephthalate) Hydrolase Activity by Protein Engineering

(2018) Yuan Ma et al.   Engineering

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane

(2018) Martin Stroet et al.   Journal of Chemical Theory and Computation

Analysis of Large-Scale Mutagenesis Data To Assess the Impact of Single Amino Acid Substitutions

(2017) Vanessa E. Gray et al.   GENETICS

Structural insight into catalytic mechanism of PET hydrolase

(2017) Xu Han et al.   Nature Communications

Analysis of Large-Scale Mutagenesis Data To Assess the Impact of Single Amino Acid Substitutions

(2017) Vanessa E. Gray et al.   GENETICS

Microbial enzymes for the recycling of recalcitrant petroleum-based plastics: how far are we?

(2017) Ren Wei et al.   Microbial Biotechnology

Engineered bacterial polyester hydrolases efficiently degrade polyethylene terephthalate due to relieved product inhibition

(2016) Ren Wei et al.   BIOTECHNOLOGY AND BIOENGINEERING

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

(2016) Stefano Forli et al.   Nature Protocols

A bacterium that degrades and assimilates poly(ethylene terephthalate)

(2016) Shosuke Yoshida et al.   SCIENCE

A disulfide bridge in the calcium binding site of a polyester hydrolase increases its thermal stability and activity against polyethylene terephthalate

(2016) Johannes Then et al.   FEBS Open Bio

How the Same Core Catalytic Machinery Catalyzes 17 Different Reactions: the Serine-Histidine-Aspartate Catalytic Triad of α/β-Hydrolase Fold Enzymes

(2015) Alissa Rauwerdink et al.   ACS Catalysis

Structural and functional studies on a thermostable polyethylene terephthalate degrading hydrolase from Thermobifida fusca

(2014) Christian Roth et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Structural basis for the Ca2+-enhanced thermostability and activity of PET-degrading cutinase-like enzyme from Saccharomonospora viridis AHK190

(2014) Takuya Miyakawa et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

A novel Ca2+-activated, thermostabilized polyesterase capable of hydrolyzing polyethylene terephthalate from Saccharomonospora viridis AHK190

(2014) Fusako Kawai et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Computational tools for designing and engineering enzymes

(2014) Jiri Damborsky et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Plastic Degradation and Its Environmental Implications with Special Reference to Poly(ethylene terephthalate)

(2012) Hayden Webb et al.   Polymers

Isolation of a Novel Cutinase Homolog with Polyethylene Terephthalate-Degrading Activity from Leaf-Branch Compost by Using a Metagenomic Approach

(2011) Sintawee Sulaiman et al.   APPLIED AND ENVIRONMENTAL MICROBIOLOGY

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

(2011) Nathan Schmid et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Enzymatic Surface Hydrolysis of PET: Effect of Structural Diversity on Kinetic Properties of Cutinases from Thermobifida

(2011) Enrique Herrero Acero et al.   MACROMOLECULES

Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega

(2011) F. Sievers et al.   Molecular Systems Biology

Jalview Version 2--a multiple sequence alignment editor and analysis workbench

(2009) A. M. Waterhouse et al.   BIOINFORMATICS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Identification and Characterization of Bacterial Cutinase

(2008) Sheng Chen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY