The impact of molecular variants, crystallization conditions and the space group on ligand–protein complexes: a case study on bacterial phosphotriesterase

Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop

(2023) Laura Job et al.   Biochemistry

The CCP4 suite: integrative software for macromolecular crystallography

(2023) Jon Agirre et al.   Acta Crystallographica Section D-Structural Biology

Polyacrylic Acid Nanoplatforms: Antimicrobial, Tissue Engineering, and Cancer Theranostic Applications

(2022) Hassan Arkaban et al.   Polymers

Utilization of diverse organophosphorus pollutants by marine bacteria

(2022) Dragana Despotović et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students

(2022) Stephen K. Burley et al.   Biomolecules

From the Three-Dimensional Structure of Phosphotriesterase

(2021) Hazel M. Holden et al.   BIOCHEMISTRY

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

(2019) Dorothee Liebschner et al.   Acta Crystallographica Section D-Structural Biology

A mixture of three engineered phosphotriesterases enables rapid detoxification of the entire spectrum of known threat nerve agents

(2019) Dragana Despotović et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Characterizing metal-binding sites in proteins with X-ray crystallography

(2018) Katarzyna B Handing et al.   Nature Protocols

Automated Design of Efficient and Functionally Diverse Enzyme Repertoires

(2018) Olga Khersonsky et al.   MOLECULAR CELL

High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase

(2017) Christopher Selleck et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Overcoming an optimization plateau in the directed evolution of highly efficient nerve agent bioscavengers

(2017) Moshe Goldsmith et al.   PROTEIN ENGINEERING DESIGN & SELECTION

The role of protein dynamics in the evolution of new enzyme function

(2016) Eleanor Campbell et al.   Nature Chemical Biology

The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex

(2016) Orly Dym et al.   PROTEIN SCIENCE

Catalytic efficiencies of directly evolved phosphotriesterase variants with structurally different organophosphorus compounds in vitro

(2015) Moshe Goldsmith et al.   ARCHIVES OF TOXICOLOGY

Engineering the Organophosphorus Acid Anhydrolase Enzyme for Increased Catalytic Efficiency and Broadened Stereospecificity on Russian VX

(2015) Courtney M. Daczkowski et al.   BIOCHEMISTRY

Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR

(2015) Andrew N. Bigley et al.   BIOCHEMISTRY

The solvent component of macromolecular crystals

(2015) Christian X. Weichenberger et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Efficacy of the rePON1 mutant IIG1 to prevent cyclosarin toxicity in vivo and to detoxify structurally different nerve agents in vitro

(2014) Franz Worek et al.   ARCHIVES OF TOXICOLOGY

Improved Stability and Half-Life of Fluorinated Phosphotriesterase Using Rosetta

(2014) Ching-Yao Yang et al.   CHEMBIOCHEM

Deciphering key features in protein structures with the new ENDscript server

(2014) Xavier Robert et al.   NUCLEIC ACIDS RESEARCH

A 5000-Fold Increase in the Specificity of a Bacterial Phosphotriesterase for Malathion through Combinatorial Active Site Mutagenesis

(2014) Tatheer Naqvi et al.   PLoS One

ThePDB_REDOserver for macromolecular structure model optimization

(2014) Robbie P. Joosten et al.   IUCrJ

Avoidable errors in deposited macromolecular structures: an impediment to efficient data mining

(2014) Zbigniew Dauter et al.   IUCrJ

Engineering V-Type Nerve Agents Detoxifying Enzymes Using Computationally Focused Libraries

(2013) Izhack Cherny et al.   ACS Chemical Biology

Enzymatic Neutralization of the Chemical Warfare Agent VX: Evolution of Phosphotriesterase for Phosphorothiolate Hydrolysis

(2013) Andrew N. Bigley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Several Affinity Tags Commonly Used in Chromatographic Purification

(2013) Xinyu Zhao et al.   Journal of Analytical Methods in Chemistry

Enzymes for the Homeland Defense: Optimizing Phosphotriesterase for the Hydrolysis of Organophosphate Nerve Agents

(2012) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Catalytic mechanisms for phosphotriesterases

(2012) Andrew N. Bigley et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme

(2012) Nobuhiko Tokuriki et al.   Nature Communications

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Phosphate-bound structure of an organophosphate-degrading enzyme from Agrobacterium radiobacter

(2011) Fernanda Ely et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Directed evolution of hydrolases for prevention of G-type nerve agent intoxication

(2011) Rinkoo D Gupta et al.   Nature Chemical Biology

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The organophosphate-degrading enzyme fromAgrobacterium radiobacterdisplays mechanistic flexibility for catalysis

(2010) Fernanda Ely et al.   BIOCHEMICAL JOURNAL

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structure-Based Rational Design of a Phosphotriesterase

(2009) C. J. Jackson et al.   APPLIED AND ENVIRONMENTAL MICROBIOLOGY

Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase

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

Structure of Diethyl Phosphate Bound to the Binuclear Metal Center of Phosphotriesterase†‡

(2008) Jungwook Kim et al.   BIOCHEMISTRY

Data mining of metal ion environments present in protein structures

(2008) Heping Zheng et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Organophosphorus-degrading bacteria: ecology and industrial applications

(2008) Brajesh K. Singh   NATURE REVIEWS MICROBIOLOGY

Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities

(2008) T.E. Reeves et al.   PROTEIN ENGINEERING DESIGN & SELECTION

In Crystallo Capture of a Michaelis Complex and Product-binding Modes of a Bacterial Phosphotriesterase

(2007) Colin J. Jackson et al.   JOURNAL OF MOLECULAR BIOLOGY