Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation

Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme

(2021) Tom Coleman et al.   ACS Catalysis

Origin of Site Selectivity in Toluene Hydroxylation by Cytochrome P450 Enzymes

(2021) Xuan Wu et al.   JOURNAL OF ORGANIC CHEMISTRY

Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases

(2020) Matthew N. Podgorski et al.   BIOCHEMISTRY

A Modified Arrhenius Approach to Thermodynamically Study Regioselectivity in Cytochrome P450‐Catalyzed Substrate Conversion

(2020) Rosa A. Luirink et al.   CHEMBIOCHEM

Structural insights into the role of the acid-alcohol pair of residues required for dioxygen activation in cytochrome P450 enzymes

(2020) Tom Coleman et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations

(2020) Charleen G. Don et al.   Journal of Chemical Information and Modeling

Computational Protocol to Understand P450 Mechanisms and Design of Efficient and Selective Biocatalysts

(2019) Kersti Caddell Haatveit et al.   Frontiers in Chemistry

Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants

(2019) Rasmus Leth et al.   Journal of Chemical Information and Modeling

Rearrangement-Free Hydroxylation of Methylcubanes by a Cytochrome P450: The Case for Dynamical Coupling of C–H Abstraction and Rebound

(2019) Md. Raihan Sarkar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions

(2019) Matthew N. Podgorski et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation

(2018) Tom Coleman et al.   ACS Catalysis

Human mitochondrial cytochrome P450 27C1 is localized in skin and preferentially desaturatestrans-retinol to 3,4-dehydroretinol

(2017) Kevin M. Johnson et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The selective oxidation of substituted aromatic hydrocarbons and the observation of uncoupling via redox cycling during naphthalene oxidation by the CYP101B1 system

(2017) Emma A. Hall et al.   Catalysis Science & Technology

Improved oxidation of aromatic and aliphatic hydrocarbons using rate enhancing variants of P450Bm3 in combination with decoy molecules

(2016) Samuel D. Munday et al.   CHEMICAL COMMUNICATIONS

Direct Observation of an Oxepin from a Bacterial Cytochrome P450-Catalyzed Oxidation

(2016) Jeanette E. Stok et al.   CHEMISTRY-A EUROPEAN JOURNAL

Participation of Electron Transfer Process in Rate-Limiting Step of Aromatic Hydroxylation Reactions by Compound I Models of Heme Enzymes

(2016) Maaya Asaka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The efficient and selective catalytic oxidation of para-substituted cinnamic acid derivatives by the cytochrome P450 monooxygenase, CYP199A4

(2016) Rebecca R. Chao et al.   RSC Advances

Undirected, Homogeneous C–H Bond Functionalization: Challenges and Opportunities

(2016) John F. Hartwig et al.   ACS Central Science

Enzymatic hydroxylation of an unactivated methylene C–H bond guided by molecular dynamics simulations

(2015) Alison R. H. Narayan et al.   Nature Chemistry

Biphenyl 4-Hydroxylases Involved in Aucuparin Biosynthesis in Rowan and Apple Are Cytochrome P450 736A Proteins

(2015) Debabrata Sircar et al.   PLANT PHYSIOLOGY

CYP199A4 catalyses the efficient demethylation and demethenylation of para-substituted benzoic acid derivatives

(2015) Tom Coleman et al.   RSC Advances

Heme Enzyme Structure and Function

(2014) Thomas L. Poulos   CHEMICAL REVIEWS

Highly Selective Hydroxylation of Benzene to Phenol by Wild-type Cytochrome P450BM3 Assisted by Decoy Molecules

(2013) Osami Shoji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Kinetic Resolution of Secondary Alcohols Catalyzed by Chiral Phosphoric Acids

(2013) Shingo Harada et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Investigation of the Substrate Range of CYP199A4: Modification of the Partition between Hydroxylation and Desaturation Activities by Substrate and Protein Engineering

(2012) Stephen G. Bell et al.   CHEMISTRY-A EUROPEAN JOURNAL

The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site

(2012) Stephen G. Bell et al.   DALTON TRANSACTIONS

If CH Bonds Could Talk: Selective CH Bond Oxidation

(2011) Timothy Newhouse et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dearomatisation of o-Xylene by P450BM3 (CYP102A1)

(2011) Christopher J. C. Whitehouse et al.   CHEMISTRY-A EUROPEAN JOURNAL

Trends in Aromatic Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes: A Valence Bond Modeling

(2011) Sason Shaik et al.   Journal of Chemical Theory and Computation

Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450

(2011) J. Olah et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics

(2010) J. Rittle et al.   SCIENCE

Hydrocarbon Hydroxylation by Cytochrome P450 Enzymes

(2009) Paul R. Ortiz de Montellano   CHEMICAL REVIEWS

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

(2009) Sason Shaik et al.   CHEMICAL REVIEWS

Selective oxidative demethylation of veratric acid to vanillic acid by CYP199A4 from Rhodopseudomonas palustris HaA2

(2009) Stephen G. Bell et al.   Molecular BioSystems

Evolved CYP102A1 (P450BM3) variants oxidise a range of non-natural substrates and offer new selectivity options

(2008) Christopher J. C. Whitehouse et al.   CHEMICAL COMMUNICATIONS

QM/MM Modeling of Benzene Hydroxylation in Human Cytochrome P450 2C9†

(2008) Christine M. Bathelt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450†

(2008) Patrik Rydberg et al.   JOURNAL OF PHYSICAL CHEMISTRY A