An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase

Cryo-EM reveals the architecture of the dimeric cytochrome P450 CYP102A1 enzyme and conformational changes required for redox partner recognition

(2020) Min Su et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

All-Atom Simulations Disclose How Cytochrome Reductase Reshapes the Substrate Access/Egress Routes of Its Partner CYP450s

(2020) Ida Ritacco et al.   Journal of Physical Chemistry Letters

Re-epithelialization and immune cell behaviour in an ex vivo human skin model

(2020) Ana Rakita et al.   Scientific Reports

Structural and Functional Studies of the Membrane-Binding Domain of NADPH-Cytochrome P450 Oxidoreductase

(2019) Chuanwu Xia et al.   BIOCHEMISTRY

Characterization of Lipid–Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation

(2019) Melanie P. Muller et al.   CHEMICAL REVIEWS

Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme

(2019) Ida Ritacco et al.   Journal of Chemical Information and Modeling

A large-scale comparative analysis of affinity, thermodynamics and functional characteristics of interactions of twelve cytochrome P450 isoforms and their redox partners

(2019) Evgeniy O. Yablokov et al.   BIOCHIMIE

Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19

(2019) Ghulam Mustafa et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A Minimal Functional Complex of Cytochrome P450 and FBD of Cytochrome P450 Reductase in Nanodiscs

(2018) Elke Prade et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cytochrome b 5 enhances androgen synthesis by rapidly reducing the CYP17A1 oxy-complex in the lyase step

(2018) Ruchia Duggal et al.   FEBS LETTERS

The full-length cytochrome P450 enzyme CYP102A1 dimerizes at its reductase domains and has flexible heme domains for efficient catalysis

(2018) Haoming Zhang et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners

(2018) Martin Šrejber et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Choreography of the Reductase and P450BM3 Domains Toward Electron Transfer Is Instigated by the Substrate

(2018) Kshatresh Dutta Dubey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-Protein Tracking Reveals That NADPH Mediates the Insertion of Cytochrome P450 Reductase into a Biomimetic of the Endoplasmic Reticulum

(2017) Carlo Barnaba et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CYP1A1 I462V polymorphism is associated with reduced genotoxicity in yeast despite positive association with increased cancer risk

(2017) Julian Freedland et al.   MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS

Protonation of the Hydroperoxo Intermediate of Cytochrome P450 2B4 Is Slower in the Presence of Cytochrome P450 Reductase Than in the Presence of Cytochrome b5

(2016) Naw May Pearl et al.   BIOCHEMISTRY

NADH:Cytochrome b5 Reductase and Cytochrome b5 Can Act as Sole Electron Donors to Human Cytochrome P450 1A1-Mediated Oxidation and DNA Adduct Formation by Benzo[a]pyrene

(2016) Marie Stiborová et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Rapid kinetic methods to dissect steroidogenic cytochrome P450 reaction mechanisms

(2016) Francis K. Yoshimoto et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

The Localization of Cytochrome P450s CYP1A1 and CYP1A2 into Different Lipid Microdomains Is Governed by Their N-terminal and Internal Protein Regions

(2015) Ji Won Park et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Cytochrome P450 17A1 Interactions with the FMN Domain of Its Reductase as Characterized by NMR

(2015) D. Fernando Estrada et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer

(2015) Ghulam Mustafa et al.   JOURNAL OF CHEMICAL PHYSICS

SDA 7: A modular and parallel implementation of the simulation of diffusional association software

(2015) Michael Martinez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dynamics of CYP51: implications for function and inhibitor design

(2015) Xiaofeng Yu et al.   JOURNAL OF MOLECULAR RECOGNITION

Cytochrome P450 system proteins reside in different regions of the endoplasmic reticulum

(2014) Ji Won Park et al.   BIOCHEMICAL JOURNAL

Crystal Structure of Cindoxin, the P450cin Redox Partner

(2014) Yarrow Madrona et al.   BIOCHEMISTRY

Kinetic Analysis of Lauric Acid Hydroxylation by Human Cytochrome P450 4A11

(2014) Donghak Kim et al.   BIOCHEMISTRY

Flexible Docking-Based Molecular Dynamics/Steered Molecular Dynamics Calculations of Protein–Protein Contacts in a Complex of Cytochrome P450 1A2 with Cytochrome b5

(2014) Petr Jeřábek et al.   BIOCHEMISTRY

Human Cytochrome P450 17A1 Conformational Selection

(2014) D. Fernando Estrada et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer

(2014) B. C. Monk et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

ThePDB_REDOserver for macromolecular structure model optimization

(2014) Robbie P. Joosten et al.   IUCrJ

A Model of the Membrane-bound Cytochromeb5-Cytochrome P450 Complex from NMR and Mutagenesis Data

(2013) Shivani Ahuja et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Substrate-modulated Cytochrome P450 17A1 and Cytochromeb5Interactions Revealed by NMR

(2013) D. Fernando Estrada et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism

(2013) Agnes A. Walsh et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?

(2013) Johannes Kirchmair et al.   Journal of Chemical Information and Modeling

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Behavior of Human Cytochromes P450 on Lipid Membranes

(2013) Karel Berka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterizing the Membrane-Bound State of Cytochrome P450 3A4: Structure, Depth of Insertion, and Orientation

(2013) Javier L. Baylon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular dynamics simulations give insight into the conformational change, complex formation, and electron transfer pathway for cytochrome P450 reductase

(2013) Axel Sündermann et al.   PROTEIN SCIENCE

Structural Basis for Effector Control and Redox Partner Recognition in Cytochrome P450

(2013) S. Tripathi et al.   SCIENCE

Cytochrome P450 1A1-mediated anticancer drug discovery:in silicofindings

(2012) Prajwal P Nandekar et al.   Expert Opinion on Drug Discovery

Exploring biological electron transfer pathway dynamics with the Pathways Plugin for VMD

(2012) Ilya A. Balabin et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

(2012) Eva Chovancova et al.   PLoS Computational Biology

Uncovering the Role of Hydrophobic Residues in Cytochrome P450−Cytochrome P450 Reductase Interactions

(2011) Cesar Kenaan et al.   BIOCHEMISTRY

Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site

(2011) Karel Berka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

OPM database and PPM web server: resources for positioning of proteins in membranes

(2011) Mikhail A. Lomize et al.   NUCLEIC ACIDS RESEARCH

Structural basis for human NADPH-cytochrome P450 oxidoreductase deficiency

(2011) C. Xia et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Transient protein-protein interactions

(2011) S. E. Acuner Ozbabacan et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9

(2011) Vlad Cojocaru et al.   PLoS Computational Biology

Engineering cytochrome P450 biocatalysts for biotechnology, medicine and bioremediation

(2010) Santosh Kumar   Expert Opinion on Drug Metabolism & Toxicology

Cytochrome P450 7A1 Cholesterol 7α-Hydroxylation

(2010) Raku Shinkyo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Cytochrome P450 CYP1A1: wider roles in cancer progression and prevention

(2009) Vasilis P Androutsopoulos et al.   BMC CANCER

AFM study of the interaction of cytochrome P450 2C9 with phospholipid bilayers

(2009) Matthew R. Nussio et al.   CHEMISTRY AND PHYSICS OF LIPIDS

PDB_REDO: automated re-refinement of X-ray structure models in the PDB

(2009) Robbie P. Joosten et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Structure and Function of an NADPH-Cytochrome P450 Oxidoreductase in an Open Conformation Capable of Reducing Cytochrome P450

(2009) Djemel Hamdane et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

On the Contributions of Diffusion and Thermal Activation to Electron Transfer betweenPhormidium laminosumPlastocyanin and Cytochromef: Brownian Dynamics Simulations with Explicit Modeling of Nonpolar Desolvation Interactions and Electron Transfer Events

(2009) Razif R. Gabdoulline et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Membrane lipids: where they are and how they behave

(2008) Gerrit van Meer et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Oxygen activation by cytochrome P450 monooxygenase

(2008) Djemel Hamdane et al.   PHOTOSYNTHESIS RESEARCH

Protein-protein docking by simulating the process of association subject to biochemical constraints

(2008) Domantas Motiejunas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS