Mechanistic insights into dioxygen activation, oxygen atom exchange and substrate epoxidation by AsqJ dioxygenase from quantum mechanical/molecular mechanical calculations
出版年份 2017 全文链接
标题
Mechanistic insights into dioxygen activation, oxygen atom exchange and substrate epoxidation by AsqJ dioxygenase from quantum mechanical/molecular mechanical calculations
作者
关键词
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 30, Pages 20188-20197
出版商
Royal Society of Chemistry (RSC)
发表日期
2017-06-28
DOI
10.1039/c7cp02687k
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants
- (2017) Subhasree Kal et al. JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
- Insights into the unprecedented epoxidation mechanism of fumitremorgin B endoperoxidase (FtmOx1) from Aspergillus fumigatus by QM/MM calculations
- (2017) Xiya Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ferrous iron and α-ketoglutarate-dependent dioxygenases in the biosynthesis of microbial natural products
- (2016) Long-Fei Wu et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Is It Fe(III)-Oxyl Radical That Abstracts Hydrogen in the C–H Activation of TauD? A Theoretical Study Based on the DFT Potential Energy Surfaces
- (2016) Binh Khanh Mai et al. INORGANIC CHEMISTRY
- Oxygen Atom Exchange between H2O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism
- (2016) Mayank Puri et al. INORGANIC CHEMISTRY
- Mechanism of O2 Activation by α-Ketoglutarate Dependent Oxygenases Revisited. A Quantum Chemical Study
- (2016) Anna Wójcik et al. JOURNAL OF PHYSICAL CHEMISTRY A
- How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems
- (2016) Binju Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mechanistic Investigation of a Non-Heme Iron Enzyme Catalyzed Epoxidation in (−)-4′-Methoxycyclopenin Biosynthesis
- (2016) Wei-chen Chang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Selective Chlorination of Substrates by the Halogenase SyrB2 Is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study
- (2016) Jing Huang et al. ACS Catalysis
- Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis
- (2015) Alois Bräuer et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Catalytic Mechanisms of Fe(II)- and 2-Oxoglutarate-dependent Oxygenases
- (2015) Salette Martinez et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Computations Reveal a Rich Mechanistic Variation of Demethylation of N-Methylated DNA/RNA Nucleotides by FTO
- (2015) Binju Wang et al. ACS Catalysis
- Non-Heme Dioxygenase Catalyzes Atypical Oxidations of 6,7-Bicyclic Systems To Form the 6,6-Quinolone Core of Viridicatin-Type Fungal Alkaloids
- (2014) Noriyasu Ishikawa et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM Calculations
- (2014) Dong Fang et al. Journal of Chemical Theory and Computation
- Theory Uncovers an Unusual Mechanism of DNA Repair of a Lesioned Adenine by AlkB Enzymes
- (2014) Binju Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mechanism of the C5 Stereoinversion Reaction in the Biosynthesis of Carbapenem Antibiotics
- (2014) W.-c. Chang et al. SCIENCE
- Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes
- (2013) Matthew G. Quesne et al. CHEMISTRY-A EUROPEAN JOURNAL
- Electronic Structure Analysis of the Oxygen-Activation Mechanism by FeII- and α-Ketoglutarate (αKG)-Dependent Dioxygenases
- (2012) Shengfa Ye et al. CHEMISTRY-A EUROPEAN JOURNAL
- Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand
- (2011) Anna Company et al. CHEMISTRY-A EUROPEAN JOURNAL
- Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes
- (2011) Devesh Kumar et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Activation of α-Keto Acid-Dependent Dioxygenases: Application of an {FeNO}7/{FeO2}8Methodology for Characterizing the Initial Steps of O2Activation
- (2011) Adrienne R. Diebold et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Oxygen Activation at Mononuclear Nonheme Iron Centers: A Superoxo Perspective
- (2010) Anusree Mukherjee et al. INORGANIC CHEMISTRY
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Mechanism of Selective Halogenation by SyrB2: A Computational Study
- (2010) Tomasz Borowski et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase
- (2010) Chengqi Yi et al. NATURE
- Trapping and spectroscopic characterization of an FeIII-superoxo intermediate from a nonheme mononuclear iron-containing enzyme
- (2010) M. M. Mbughuni et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Substrate-Triggered Formation and Remarkable Stability of the C−H Bond-Cleaving Chloroferryl Intermediate in the Aliphatic Halogenase, SyrB2
- (2009) Megan L. Matthews et al. BIOCHEMISTRY
- A DFT Study of Nucleobase Dealkylation by the DNA Repair Enzyme AlkB
- (2009) Haining Liu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Modular behavior of tauD provides insight into the origin of specificity in -ketoglutarate-dependent nonheme iron oxygenases
- (2009) K. P. McCusker et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals
- (2008) Michael Römelt et al. INORGANIC CHEMISTRY
- Comparative Quantum Mechanics/Molecular Mechanics (QM/MM) and Density Functional Theory Calculations on the Oxo−Iron Species of Taurine/α-Ketoglutarate Dioxygenase
- (2008) Elizabeth Godfrey et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Versatility of biological non-heme Fe(II) centers in oxygen activation reactions
- (2008) Elena G Kovaleva et al. Nature Chemical Biology
- Expanding chemical biology of 2-oxoglutarate oxygenases
- (2008) Christoph Loenarz et al. Nature Chemical Biology
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