Crystal structure of human cytochrome P450 2D6.
Paul Rowland,Frank E. Blaney,Martin G. Smyth,Jo J. Jones,Vaughan R. Leydon,Amanda K. Oxbrow,Ceri J. Lewis,Mike Tennant,Sandeep Modi,Drake S. Eggleston,Richard J. Chenery,Angela Bridges +11 more
TLDR
The crystal structure of human 2D6 helps to explain how Asp-301, Glu-216, and Phe-483 can act as substrate binding residues and suggests that the role of PHe-120 is to control the orientation of the aromatic ring found in most substrates with respect to the heme.About:
This article is published in Journal of Biological Chemistry.The article was published on 2006-03-17 and is currently open access. It has received 414 citations till now. The article focuses on the topics: Protein structure & Beta sheet.read more
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Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation
TL;DR: Recent progress on drug metabolism activity profiles, interindividual variability and regulation of expression, and the functional and clinical impact of genetic variation in drug metabolizing P450s are reviewed.
Journal ArticleDOI
Cytochrome P450 and Chemical Toxicology
TL;DR: Crystal structures of several of the major human P450s are now in hand, and unresolved problems include the characterization of the minor "orphan" P 450s, ligand cooperativity and kinetic complexity of several P450S, the prediction of metabolism, the overall contribution of bioactivation to drug idiosyncratic problems, the extrapolation of animal test results to humans in drug development, and the contribution of genetic variation in human P550s to cancer incidence.
Journal ArticleDOI
Dendron-Mediated Self-Assembly, Disassembly, and Self-Organization of Complex Systems
Brad M. Rosen,Christopher J. Wilson,Daniela A. Wilson,Mihai Peterca,Mohammad R. Imam,Virgil Percec +5 more
TL;DR: The structural origin of chirality in different supramolecular structures through combinations of structural analysis methods has been investigated in this article, where the most ideal building blocks would need to display shape persistence in solution and in the solid state, since only this feature provides access to the use of complementary methods of structural analyses.
Journal ArticleDOI
Hydrocarbon hydroxylation by cytochrome P450 enzymes.
TL;DR: Although these proteins have properties that make them particularly attractive for engineering purposes, the large reservoir of P450 enzymes that collectively catalyze an astounding diversity of reactions suggests that P450 catalysis will develop into a highly useful technology.
Journal ArticleDOI
P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
TL;DR: This work confirms that setup issues can be resolved in a consistent manner if proper care is exercised and generates a common setup that gives QM/MM results for P450cam which are generally consistent with those obtained previously with individual setups.
References
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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs.
Stephen F. Altschul,Thomas L. Madden,Alejandro A. Schäffer,Jinghui Zhang,Zheng Zhang,Webb Miller,David J. Lipman +6 more
TL;DR: A new criterion for triggering the extension of word hits, combined with a new heuristic for generating gapped alignments, yields a gapped BLAST program that runs at approximately three times the speed of the original.
Book ChapterDOI
Processing of X-ray diffraction data collected in oscillation mode
Zbyszek Otwinowski,Wladek Minor +1 more
TL;DR: The methods presented in the chapter have been applied to solve a large variety of problems, from inorganic molecules with 5 A unit cell to rotavirus of 700 A diameters crystallized in 700 × 1000 × 1400 A cell.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PROCHECK: a program to check the stereochemical quality of protein structures
TL;DR: The PROCHECK suite of programs as mentioned in this paper provides a detailed check on the stereochemistry of a protein structure and provides an assessment of the overall quality of the structure as compared with well refined structures of the same resolution.