Ligand Access Channels in Cytochrome P450 Enzymes: A Review

Cytochrome P450 diversity in the tree of life

(2018) David R. Nelson   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

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

Binding Specificity Determines the Cytochrome P450 3A4 Mediated Enantioselective Metabolism of Metconazole

(2018) Shulin Zhuang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Liver microsomal lipid enhances the activity and redox coupling of colocalized cytochrome P450 reductase-cytochrome P450 3A4 in nanodiscs

(2017) Kang-Cheng Liu et al.   FEBS Journal

A new look at the role of thiolate ligation in cytochrome P450

(2017) Timothy H. Yosca et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics

(2017) Dipanwita Batabyal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Cytochrome P450 3A4 has three Major Conformations: New Clues to Drug Recognition by this Promiscuous Enzyme

(2017) Lydia Benkaidali et al.   Molecular Informatics

The mystery of membrane organization: composition, regulation and roles of lipid rafts

(2017) Erdinc Sezgin et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Cytochrome P450-derived eicosanoids and heart function

(2017) K. Lockhart Jamieson et al.   PHARMACOLOGY & THERAPEUTICS

Steroidogenesis: Unanswered Questions

(2017) Walter L. Miller   TRENDS IN ENDOCRINOLOGY AND METABOLISM

Ordered chimerogenesis applied to CYP2B P450 enzymes

(2016) Thomas Lautier et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Applications of microbial cytochrome P450 enzymes in biotechnology and synthetic biology

(2016) Hazel M Girvan et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4

(2016) Markéta Paloncýová et al.   Journal of Chemical Theory and Computation

Effect of Lipid Charge on Membrane Immersion of Cytochrome P450 3A4

(2016) Veronika Navrátilová et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipid molecules can induce an opening of membrane-facing tunnels in cytochrome P450 1A2

(2016) Petr Jeřábek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Properties and biotechnological applications of natural and engineered haloalkane dehalogenases

(2015) Yuji Nagata et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Mechanism of Drug–Drug Interactions Mediated by Human Cytochrome P450 CYP3A4 Monomer

(2015) Ilia G. Denisov et al.   BIOCHEMISTRY

Towards fast, rigorous and efficient conformational sampling of biomolecules: Advances in accelerated molecular dynamics

(2015) Urmi Doshi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Access channels to the buried active site control substrate specificity in CYP1A P450 enzymes

(2015) Philippe Urban et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Effect of Cholesterol on the Structure of Membrane-Attached Cytochrome P450 3A4

(2015) Veronika Navrátilová et al.   Journal of Chemical Information and Modeling

Memetic algorithms for ligand expulsion from protein cavities

(2015) J. Rydzewski et al.   JOURNAL OF CHEMICAL PHYSICS

Substrate tunnels in enzymes: Structure-function relationships and computational methodology

(2015) Laura J. Kingsley et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Anatomy of enzyme channels

(2014) Lukáš Pravda et al.   BMC BIOINFORMATICS

Cytochrome P450-mediated metabolic engineering: current progress and future challenges

(2014) Hugues Renault et al.   CURRENT OPINION IN PLANT BIOLOGY

Interactions among Cytochromes P450 in Microsomal Membranes

(2014) Dmitri R. Davydov et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

High-Throughput Functional Screening of Steroid Substrates with Wild-Type and Chimeric P450 Enzymes

(2014) Philippe Urban et al.   Biomed Research International

Computing cavities, channels, pores and pockets in proteins from non-spherical ligands models

(2013) L. Benkaidali et al.   BIOINFORMATICS

Structural Diversity of Eukaryotic Membrane Cytochrome P450s

(2013) Eric F. Johnson et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Reactive Intermediates in Cytochrome P450 Catalysis

(2013) Courtney M. Krest 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

Behavior of Human Cytochromes P450 on Lipid Membranes

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

Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6

(2013) P. Ross Wilderman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What makes a P450 tick?

(2013) Andrew W. Munro et al.   TRENDS IN BIOCHEMICAL SCIENCES

A novel type of allosteric regulation: Functional cooperativity in monomeric proteins

(2012) Ilia G. Denisov et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules

(2012) Manish B. Shah et al.   BIOCHEMISTRY

Is There a Relationship Between the Substrate Preferences and Structural Flexibility of Cytochromes P450?

(2012) Michal Otyepka et al.   CURRENT DRUG METABOLISM

Protein Folding at the Exit Tunnel

(2011) Daria V. Fedyukina et al.   Annual Review of Biophysics

An update on plant membrane rafts

(2011) Françoise Simon-Plas et al.   CURRENT OPINION IN PLANT BIOLOGY

Long-Range Effects of a Peripheral Mutation on the Enzymatic Activity of Cytochrome P450 1A2

(2011) Tao Zhang et al.   Journal of Chemical Information and Modeling

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

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

(2011) Vlad Cojocaru et al.   PLoS Computational Biology

The structure of CYP101D2 unveils a potential path for substrate entry into the active site

(2010) Wen Yang et al.   BIOCHEMICAL JOURNAL

P450cam Visits an Open Conformation in the Absence of Substrate,

(2010) Young-Tae Lee et al.   BIOCHEMISTRY

Three Clusters of Conformational States in P450cam Reveal a Multistep Pathway for Closing of the Substrate Access Channel,

(2010) Young-Tae Lee et al.   BIOCHEMISTRY

Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by x-ray crystallography and NMR

(2010) Sean C Gay et al.   Future Medicinal Chemistry

CH bond activation in heme proteins: the role of thiolate ligation in cytochrome P450

(2009) Michael T Green   CURRENT OPINION IN CHEMICAL BIOLOGY

Effect of Conformational Dynamics on Substrate Recognition and Specificity as Probed by the Introduction of ade NovoDisulfide Bond into Cytochrome P450 2B1

(2009) Haoming Zhang et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Theoretical Characterization of Substrate Access/Exit Channels in the Human Cytochrome P450 3A4 Enzyme: Involvement of Phenylalanine Residues in the Gating Mechanism

(2009) Dan Fishelovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

X-ray structure of human aromatase reveals an androgen-specific active site

(2009) Debashis Ghosh et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate

(2009) Martina Pavlova et al.   Nature Chemical Biology

Mechanistic aspects of CYP74 allene oxide synthases and related cytochrome P450 enzymes

(2009) Alan R. Brash   PHYTOCHEMISTRY

Allosteric Transitions in Cytochrome P450eryF Explored with Pressure-Perturbation Spectroscopy, Lifetime FRET, and a Novel Fluorescent Substrate, Fluorol-7GA†

(2008) Dmitri R. Davydov et al.   BIOCHEMISTRY

Roles of two surface residues near the access channel in the substrate recognition by cytochrome P450cam

(2008) Rabindra Kumar Behera et al.   BIOPHYSICAL CHEMISTRY

Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlate with Their Substrate Preferences

(2008) Josef Skopalík et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Improvement of Cyclophosphamide Activation by CYP2B6 Mutants: From in Silico to ex Vivo

(2008) T.-A. Nguyen et al.   MOLECULAR PHARMACOLOGY

Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes

(2008) Dong-Sun Lee et al.   NATURE

Oxygen activation by cytochrome P450 monooxygenase

(2008) Djemel Hamdane et al.   PHOTOSYNTHESIS RESEARCH