Molecular modeling of mammalian cytochrome P450s

P450 superfamily: update on new sequences, gene mapping, accession numbers and nomenclature

1996 • 2,895 citations

Combining evolutionary information and neural networks to predict protein secondary structure

1994 • 1,471 citations

High-resolution crystal structure of cytochrome P450cam

1987 • 1,396 citations

[31] PHD: Predicting one-dimensional protein structure by profile-based neural networks

1996 • 1,291 citations

Substrate recognition sites in cytochrome P450 family 2 (CYP2) proteins inferred from comparative analyses of amino acid and coding nucleotide sequences.

1992 • 1,168 citations

Hidden Markov models for detecting remote protein homologies.

1998 • 1,122 citations

Surprising similarities in structure comparison

1996 • 1,063 citations

Crystal Structure of Hemoprotein Domain of P450BM-3, a Prototype for Microsomal P450's

1993 • 876 citations

Improving the prediction of protein secondary structure in three and eight classes using recurrent neural networks and profiles

2002 • 753 citations

Mammalian Microsomal Cytochrome P450 Monooxygenase

2000 • 689 citations

Structure and function of cytochromes P450:a comparative analysis of three crystal structures

1995 • 660 citations

Cytochrome P450 and the Individuality of Species

1999 • 573 citations

Exploiting the past and the future in protein secondary structure prediction

1999 • 493 citations

Threading a database of protein cores

1995 • 458 citations

The structure of the cytochrome p450BM-3 haem domain complexed with the fatty acid substrate, palmitoleic acid

1997 • 456 citations

Crystal structure and refinement of cytochrome P450terp at 2·3 Å resolution

1994 • 393 citations

Structure of cytochrome P450eryF involved in erythromycin biosynthesis

1995 • 370 citations

On the membrane topology of vertebrate cytochrome P-450 proteins.

1988 • 362 citations

A three‐dimensional model of aromatase cytochrome P450

1995 • 206 citations

Molecular Modeling of Human P450c17 (17α-Hydroxylase/ 17,20-Lyase): Insights into Reaction Mechanisms and Effects of Mutations

1999 • 183 citations

Metazoan cytochrome P450 evolution

1998 • 170 citations

Novel Approach To Predicting P450-Mediated Drug Metabolism: Development of a Combined Protein and Pharmacophore Model for CYP2D6

1999 • 157 citations

A Model for Human Cytochrome P₄₅₀ 2D6 Based on Homology Modeling and NMR Studies of Substrate Binding

1996 • 154 citations

Secondary structure prediction of 52 membrane-bound cytochromes P450 shows a strong structural similarity to P450cam

1989 • 143 citations

A close family resemblance: the importance of structure in understanding cytochromes P450

1998 • 132 citations

Differential Mechanisms of Cytochrome P450 Inhibition and Activation by α-Naphthoflavone

1997 • 130 citations

Molecular modeling of cytochrome P450 3A4.

1997 • 129 citations

A Novel Approach to Predicting P450 Mediated Drug Metabolism. CYP2D6 Catalyzed N-Dealkylation Reactions and Qualitative Metabolite Predictions Using a Combined Protein and Pharmacophore Model for CYP2D6

1999 • 127 citations

Predicting the cytochrome P450 mediated metabolism of xenobiotics

1993 • 119 citations

Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors.

1999 • 119 citations

A protein taxonomy based on secondary structure.

1999 • 115 citations

Conformational Energy Calculations on Polypeptides and Proteins

1992 • 106 citations

Allosteric Behavior in Cytochrome P450-Dependent in Vitro Drug−Drug Interactions: A Prospective Based on Conformational Dynamics

2001 • 101 citations

Selection and Characterization of Human Cytochrome P450 1A2 Mutants with Altered Catalytic Properties

1999 • 98 citations

Competitive CYP2C9 Inhibitors: Enzyme Inhibition Studies, Protein Homology Modeling, and Three-Dimensional Quantitative Structure-Activity Relationship Analysis

2001 • 95 citations

The CYP2 family: models, mutants and interactions

1998 • 95 citations

CO Binding Kinetics of Human Cytochrome P450 3A4

1995 • 88 citations

The energy landscape in non-biological and biological molecules

1998 • 88 citations

Molecular modelling of CYP3A4 from an alignment with CYP102: Identification of key interactions between putative active site residues and CYP3A-specific chemicals

1996 • 88 citations

Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors.

1999 • 84 citations

Identification and location of .alpha.-helices in mammalian cytochromes P450

1989 • 83 citations

Molecular modelling of CYP1A subfamily members based on an alignment with CYP102: rationalization of CYP1A substrate specificity in terms of active site amino acid residues

1996 • 83 citations

Three-dimensional models of human and other mammalian microsomal P450s constructed from an alignment with P450102 (P450_bm3)

1995 • 78 citations

Site-Directed Mutagenesis as a Tool for Molecular Modeling of Cytochrome P450 2B1

1995 • 78 citations

USE OF HOMOLOGY MODELING IN CONJUNCTION WITH SITE-DIRECTED MUTAGENESIS FOR ANALYSIS OF STRUCTURE-FUNCTION RELATIONSHIPS OF MAMMALIAN CYTOCHROMES P450

1997 • 71 citations

Substrate Docking Algorithms and Prediction of the Substrate Specificity of Cytochrome P450_cam and Its L244A Mutant

1997 • 71 citations

A Three-Dimensional Protein Model for Human Cytochrome P450 2D6 Based on the Crystal Structures of P450 101, P450 102, and P450 108

1996 • 69 citations

Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF

2001 • 67 citations

Molecular modelling of CYP2B6, the human CYP2B isoform, by homology with the substrate-bound CYP102 crystal structure: evaluation of CYP2B6 substrate characteristics, the cytochrome b₅binding site and comparisons with CYP2B1 and CYP2B4

1999 • 64 citations

Construction of a 3D model of cytochrome P450 2B4

1997 • 61 citations

Homology modeling and substrate binding study of human CYP2C9 enzyme

1999 • 60 citations

Molecular modelling of CYP2E1 enzymes from rat, mouse and man: An explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity

1997 • 55 citations

Molecular modelling of the human cytochrome P450 isoform CYP2A6 and investigations of CYP2A substrate selectivity

1999 • 55 citations

Application of 3-Dimensional Homology Modeling of Cytochrome P450 2B1 for Interpretation of Site-Directed Mutagenesis Results

1994 • 53 citations

Molecular modelling of mammalian CYP2B isoforms and their interaction with substrates, inhibitors and redox partners

1997 • 53 citations

Molecular modelling of members of the P4502A subfamily: application to studies of enzyme specificity

1995 • 52 citations

Deuterium Magic Angle Spinning Studies of Substrates Bound to Cytochrome P450

1999 • 50 citations

Modification of cytochrome P450 1A2 enzymes by the mechanism-based inactivator 2-ethynylnaphthalene and the photoaffinity label 4-azidobiphenyl

1992 • 44 citations

The sequence homologies of cytochromes P-450 and active-site geometries

1992 • 44 citations

Cytochrome P450 conformation and substrate interactions as probed by CO binding kinetics

1996 • 43 citations

Prostacyclin Synthase Active Sites

1997 • 37 citations

Comparison of the construction of a 3-D model for human thromboxane synthase using P450cam and BM-3 as templates: implications for the substrate binding pocket

1994 • 32 citations

A hypothetical model for the active site of human cytochrome P4502E1

1997 • 31 citations

Inhibition of human cytochrome P450 1A2 by flavones: A molecular modeling study

1998 • 29 citations

Membrane Topology of Cytochrome P450 2B4 in Langmuir–Blodgett Monolayers

1998 • 29 citations

The active site of cytochrome P-450 nifedipine oxidase: a model-building study

1989 • 28 citations

Interaction between Cytochrome P450 2B1 and Cytochrome b5: Inhibition by Synthetic Peptides Indicates a Role for P450 Residues Lys-122 and Arg-125

1994 • 26 citations

Molecular Modeling of Cytochrome P450 2B1: Mode of Membrane Insertion and Substrate Specificity

1998 • 26 citations

Molecular modelling of CYP4A subfamily members based on sequence homology with CYP102

1999 • 25 citations

Automated multiple analysis of protein structures: Application to homology modeling of cytochromes P450

1997 • 24 citations

Modeling the Active Sites of Cytochrome P450s and GlutathioneS-Transferases, two of the Most Important Biotransformation Enzymes

1997 • 23 citations

Structural Characterization and Topology of the Second Potential Membrane Anchor Region in the Thromboxane A₂ Synthase Amino-Terminal Domain

1998 • 16 citations

Homology modelling of the enzyme P450 17 alpha-hydroxylase/17,20-lyase--a target for prostate cancer chemotherapy--from the crystal structure of P450BM-3.

1997 • 15 citations

X-ray Diffraction Analysis of Cytochrome P450 2B4 Reconstituted into Liposomes

1996 • 13 citations

Synthetic Peptide Mimics of a Predicted Topographical Interaction Surface: The Cytochrome P450 2B1 Recognition Domain for NADPH-Cytochrome P450 Reductase

2000 • 11 citations

The Complexity of Proteins

1997 • 9 citations