Structural insights into understudied human cytochrome P450 enzymes

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

Next generation 3D pharmacophore modeling

(2020) David Schaller et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Importance of asparagine-381 and arginine-487 for substrate recognition in CYP4Z1

(2020) Wei Du et al.   BIOCHEMICAL PHARMACOLOGY

The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics

(2020) Ghulam Mustafa et al.   Scientific Reports

Redox Partners: Function Modulators of Bacterial P450 Enzymes

(2020) Shengying Li et al.   TRENDS IN MICROBIOLOGY

New Proluciferin Substrates for Human CYP4 Family Enzymes

(2020) Jingyao Liu et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Breast Cancer Treatment

(2019) Adrienne G. Waks et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

PyRod – Tracing Water Molecules in Molecular Dynamics Simulations

(2019) David Schaller et al.   Journal of Chemical Information and Modeling

Functional characterization and mechanistic modeling of the human cytochrome P450 enzyme CYP4A22

(2019) Pradeepraj Durairaj et al.   FEBS LETTERS

Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands

(2019) David Schaller et al.   PLoS One

Cytochrome P450 diversity in the tree of life

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

Role of Arginine 117 in Substrate Recognition by Human Cytochrome P450 2J2

(2018) Pierre Lafite et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

CYP4X1 Inhibition by Flavonoid CH625 Normalizes Glioma Vasculature through Reprogramming TAMs via CB2 and EGFR-STAT3 Axis

(2018) Chenlong Wang et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

CYP26C1 Is a Hydroxylase of Multiple Active Retinoids and Interacts with Cellular Retinoic Acid Binding Proteins

(2018) Guo Zhong et al.   MOLECULAR PHARMACOLOGY

Computational Insight Into Vitamin K1 ω-Hydroxylation by Cytochrome P450 4F2

(2018) Junhao Li et al.   Frontiers in Pharmacology

CYP2U1 activity is altered by missense mutations in hereditary spastic paraplegia 56

(2017) Christelle M. Durand et al.   HUMAN MUTATION

The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for ω-Hydroxylation

(2017) Mei-Hui Hsu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

POVME 3.0: Software for Mapping Binding Pocket Flexibility

(2017) Jeffrey R. Wagner et al.   Journal of Chemical Theory and Computation

Homology Modeling and Molecular Dynamics Simulation Combined with X-ray Solution Scattering Defining Protein Structures of Thromboxane and Prostacyclin Synthases

(2017) Hsiao-Ching Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Asymmetric Binding and Metabolism of Polyunsaturated Fatty Acids (PUFAs) by CYP2J2 Epoxygenase

(2016) William R. Arnold et al.   BIOCHEMISTRY

Intersection of the Roles of Cytochrome P450 Enzymes with Xenobiotic and Endogenous Substrates: Relevance to Toxicity and Drug Interactions

(2016) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations

(2016) Marcel Bermudez et al.   DRUG DISCOVERY TODAY

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

(2016) Andreas Bock et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Vitamin D-Dependent Rickets Type 1 Caused by Mutations in CYP27B1 Affecting Protein Interactions With Adrenodoxin

(2016) Adam Zalewski et al.   JOURNAL OF CLINICAL ENDOCRINOLOGY & METABOLISM

Comparison of the ligand binding site of CYP2C8 with CYP26A1 and CYP26B1: a structural basis for the identification of new inhibitors of the retinoic acid hydroxylases

(2016) Robert S. Foti et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Computational modelling of the binding of arachidonic acid to the human monooxygenase CYP2J2

(2016) G. Proietti et al.   JOURNAL OF MOLECULAR MODELING

Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A1

(2016) Mohamed Awadalla et al.   MOLECULES

Incorporation of charged residues in the CYP2J2 F-G loop disrupts CYP2J2–lipid bilayer interactions

(2015) Daniel R. McDougle et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Expression in yeast, new substrates, and construction of a first 3D model of human orphan cytochrome P450 2U1: Interpretation of substrate hydroxylation regioselectivity from docking studies

(2015) Lionel Ducassou et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Anti-carcinogenic activity of anandamide on human glioma in vitro and in vivo

(2015) CHAO MA et al.   Molecular Medicine Reports

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

Human cytochromes P450 in health and disease

(2013) D. W. Nebert et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

Alteration of Fatty-Acid-Metabolizing Enzymes Affects Mitochondrial Form and Function in Hereditary Spastic Paraplegia

(2012) Christelle Tesson et al.   AMERICAN JOURNAL OF HUMAN GENETICS

Increased expression of CYP4Z1 promotes tumor angiogenesis and growth in human breast cancer

(2012) Wei Yu et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Arachidonic Acid Pathway Members PLA2G7, HPGD, EPHX2, and CYP4F8 Identified as Putative Novel Therapeutic Targets in Prostate Cancer

(2011) Paula Vainio et al.   AMERICAN JOURNAL OF PATHOLOGY

Oxidation of the Endogenous Cannabinoid Arachidonoyl Ethanolamide by the Cytochrome P450 Monooxygenases: Physiological and Pharmacological Implications

(2010) N. T. Snider et al.   PHARMACOLOGICAL REVIEWS

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

(2010) J. Rittle et al.   SCIENCE

Human CYP4Z1 catalyzes the in-chain hydroxylation of lauric acid and myristic acid

(2008) Andy Zöllner et al.   BIOLOGICAL CHEMISTRY