Coordination Dynamics of Iron is a Key Player in the Catalysis of Non‐heme Enzymes

Dioxygen Binding is Controlled by the Protein Environment in Non‐Heme Fe(II) and 2‐Oxoglutarate Oxygenases – A Study on Histone Demethylase PHF8 and an Ethylene Forming Enzyme

(2023) Shobhit S. Chaturvedi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic Insights into Substrate Positioning That Distinguish Non-heme Fe(II)/α-Ketoglutarate-Dependent Halogenases and Hydroxylases

(2023) David W. Kastner et al.   ACS Catalysis

Spectroscopic and in vitro Investigations of Fe 2+ /α‐Ketoglutarate‐Dependent Enzymes Involved in Nucleic Acid Repair and Modification

(2022) David Schmidl et al.   CHEMBIOCHEM

Engineering Fe(II)/α-Ketoglutarate-Dependent Halogenases and Desaturases

(2022) Athena Papadopoulou et al.   BIOCHEMISTRY

Synthesis of 6,6‐ and 7,7‐Difluoro‐1‐acetamidopyrrolizidines and Their Oxidation Catalyzed by the Nonheme Fe Oxygenase LolO

(2022) Nabin Panth et al.   CHEMBIOCHEM

Use of Noncanonical Tyrosine Analogues to Probe Control of Radical Intermediates during Endoperoxide Installation by Verruculogen Synthase (FtmOx1)

(2022) Chi-Yun Lin et al.   ACS Catalysis

Role of Secondary Coordination Sphere Residues in Halogenation Catalysis of Non-heme Iron Enzymes

(2022) R. Hunter Wilson et al.   ACS Catalysis

Stereoselectivity and Substrate Specificity of the Fe(II)/α-Ketoglutarate-Dependent Oxygenase TqaL

(2022) Hui Tao et al.   Journal of the American Chemical Society

Unusual Dioxygen-Dependent Reactions Catalyzed by Nonheme Iron Enzymes in Natural Product Biosynthesis

(2022) Richiro Ushimaru et al.   ACS Catalysis

Aziridine formation by a Fe(II)/α‐ketoglutarate dependent oxygenase and 2‐aminoisobutyrate biosynthesis in fungi

(2021) Ikuro Abe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spectroscopically Guided Simulations Reveal Distinct Strategies for Positioning Substrates to Achieve Selectivity in Nonheme Fe(II)/α-Ketoglutarate-Dependent Halogenases

(2021) Rimsha Mehmood et al.   ACS Catalysis

Reaction pathway engineering converts a radical hydroxylase into a halogenase

(2021) Monica E. Neugebauer et al.   Nature Chemical Biology

Epoxidation Catalyzed by the Non-heme Iron- and 2-Oxoglutarate-Dependent Oxygenase, AsqJ: Mechanistic Elucidation of Oxygen Atom Transfer by a Ferryl Intermediate

(2020) Jikun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction

(2020) Martin Srnec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enzyme Multifunctionality by Control of Substrate Positioning Within the Catalytic Cycle—A QM/MM Study of Clavaminic Acid Synthase

(2020) Zuzanna Wojdyla et al.   CHEMISTRY-A EUROPEAN JOURNAL

The catalytic mechanism of sulfoxide synthases

(2020) Anja R. Stampfli et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

An Alternative Active Site Architecture for O2 Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum

(2019) Anja R. Stampfli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Donation but not Abstraction by a Tyrosine (Y68) During Endoperoxide Installation by Verruculogen Synthase (FtmOx1)

(2019) Noah P. Dunham et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evidence for Modulation of Oxygen Rebound Rate in Control of Outcome by Iron(II)- and 2-Oxoglutarate-Dependent Oxygenases

(2019) Juan Pan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A family of radical halogenases for the engineering of amino-acid-based products

(2019) Monica E. Neugebauer et al.   Nature Chemical Biology

Structure of a Ferryl Mimic in the Archetypal Iron(II)- and 2-(Oxo)-glutarate-Dependent Dioxygenase, TauD

(2019) Katherine M. Davis et al.   BIOCHEMISTRY

Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation

(2019) Shobhit S. Chaturvedi et al.   ACS Catalysis

2-Oxoglutarate-Dependent Oxygenases

(2018) Md. Saiful Islam et al.   Annual Review of Biochemistry

Installation of the Ether Bridge of Lolines by the Iron- and 2-Oxoglutarate-Dependent Oxygenase, LolO: Regio- and Stereochemistry of Sequential Hydroxylation and Oxacyclization Reactions

(2018) Juan Pan et al.   BIOCHEMISTRY

On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study

(2018) Zuzanna Wojdyla et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Use of a Tyrosine Analogue To Modulate the Two Activities of a Nonheme Iron Enzyme OvoA in Ovothiol Biosynthesis, Cysteine Oxidation versus Oxidative C–S Bond Formation

(2018) Li Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Substrate Conformation Correlates with the Outcome of Hyoscyamine 6β-Hydroxylase Catalyzed Oxidation Reactions

(2018) Richiro Ushimaru et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent examples of α-ketoglutarate-dependent mononuclear non-haem iron enzymes in natural product biosyntheses

(2018) Shu-Shan Gao et al.   NATURAL PRODUCT REPORTS

Unique chemistry of non-heme iron enzymes in fungal biosynthetic pathways

(2018) Hitomi Nakamura et al.   NATURAL PRODUCT REPORTS

Amazing Diversity in Biochemical Roles of Fe(II)/2-Oxoglutarate Oxygenases

(2018) Caitlyn Q Herr et al.   TRENDS IN BIOCHEMICAL SCIENCES

Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ

(2018) Sophie L. Mader et al.   Nature Communications

Mechanism of Sulfoxidation and C–S Bond Formation Involved in the Biosynthesis of Ergothioneine Catalyzed by Ergothioneine Synthase (EgtB)

(2018) Ge Tian et al.   ACS Catalysis

Changes in Regioselectivity of H Atom Abstraction during the Hydroxylation and Cyclization Reactions Catalyzed by Hyoscyamine 6β-Hydroxylase

(2018) Richiro Ushimaru et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Studies of a Nonheme Iron Enzyme OvoA in Ovothiol Biosynthesis Using a Tyrosine Analogue, 2-Amino-3-(4-hydroxy-3-(methoxyl) phenyl) Propanoic Acid (MeOTyr)

(2018) Li Chen et al.   ACS Catalysis

Theoretical Study of the Mechanism of the Nonheme Iron Enzyme EgtB

(2017) Wen-Jie Wei et al.   INORGANIC CHEMISTRY

Oxygen activation by mononuclear nonheme iron dioxygenases involved in the degradation of aromatics

(2017) Yifan Wang et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2

(2017) Martin Srnec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sulfoxide Synthase versus Cysteine Dioxygenase Reactivity in a Nonheme Iron Enzyme

(2017) Abayomi S. Faponle et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation and structure of the ferryl [FeO] intermediate in the non-haem iron halogenase SyrB2: classical and QM/MM modelling agree

(2017) G. Rugg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanistic insights into dioxygen activation, oxygen atom exchange and substrate epoxidation by AsqJ dioxygenase from quantum mechanical/molecular mechanical calculations

(2017) Xudan Song et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Discovery of a Promiscuous Non-Heme Iron Halogenase in Ambiguine Alkaloid Biogenesis: Implication for an Evolvable Enzyme Family for Late-Stage Halogenation of Aliphatic Carbons in Small Molecules

(2016) Matthew L. Hillwig et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Oxidative Cyclization in Natural Product Biosynthesis

(2016) Man-Cheng Tang et al.   CHEMICAL REVIEWS

Catalytic strategies of the non-heme iron dependent oxygenases and their roles in plant biology

(2016) Mark D White et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity

(2016) Martin Srnec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5

(2016) Andrew J Mitchell et al.   Nature Chemical Biology

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

Synthetic Mononuclear Nonheme Iron–Oxygen Intermediates

(2015) Wonwoo Nam   ACCOUNTS OF CHEMICAL RESEARCH

Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway

(2015) Kristina V. Goncharenko 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

Endoperoxide formation by an α-ketoglutarate-dependent mononuclear non-haem iron enzyme

(2015) Wupeng Yan et al.   NATURE

Tuning Reactivity and Mechanism in Oxidation Reactions by Mononuclear Nonheme Iron(IV)-Oxo Complexes

(2014) Wonwoo Nam et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

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

Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2

(2013) Shaun D. Wong et al.   NATURE

Functional characterization of recombinant hyoscyamine 6β-hydroxylase from Atropa belladonna

(2012) Jing Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY

High-valent nonheme iron-oxo complexes: Synthesis, structure, and spectroscopy

(2012) Aidan R. McDonald et al.   COORDINATION CHEMISTRY REVIEWS

Structure and function of atypically coordinated enzymatic mononuclear non-heme-Fe(II) centers

(2012) Daniela Buongiorno et al.   COORDINATION CHEMISTRY REVIEWS

In Vitro Reconstitution of Mycobacterial Ergothioneine Biosynthesis

(2010) Florian P. Seebeck   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Selective Halogenation by SyrB2: A Computational Study

(2010) Tomasz Borowski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biochemical and structural characterization of recombinant hyoscyamine 6β-hydroxylase from Datura metel L.

(2010) K.K. Pramod et al.   PLANT PHYSIOLOGY AND BIOCHEMISTRY

Glimpsing the Critical Intermediate in Cytochrome P450 Oxidations

(2010) S. G. Sligar   SCIENCE

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

P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

(2009) Sason Shaik et al.   CHEMICAL REVIEWS

A DFT Study of Nucleobase Dealkylation by the DNA Repair Enzyme AlkB

(2009) Haining Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies

(2008) Pieter C. A. Bruijnincx et al.   CHEMICAL SOCIETY REVIEWS

Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA

(2008) Cai-Guang Yang et al.   NATURE

Versatility of biological non-heme Fe(II) centers in oxygen activation reactions

(2008) Elena G Kovaleva et al.   Nature Chemical Biology