相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matter
Kyung-Bin Cho et al.
CHEMICAL COMMUNICATIONS (2012)
Ab Initio Quantum Chemistry for Protein Structures
Heather J. Kulik et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Structural Basis for Phosphopantetheinyl Carrier Domain Interactions in the Terminal Module of Nonribosomal Peptide Synthetases
Ye Liu et al.
CHEMISTRY & BIOLOGY (2011)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Functional biorenewable polyesters from carvone-derived lactones
Jennifer R. Lowe et al.
POLYMER CHEMISTRY (2011)
A mononuclear nonheme iron(IV)-oxo complex which is more reactive than cytochrome P450 model compound I
Mi Sook Seo et al.
CHEMICAL SCIENCE (2011)
The Fundamental Role of Exchange-Enhanced Reactivity in C-H Activation by S=2 Oxo Iron(IV) Complexes
Deepa Janardanan et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Current understanding of fatty acid biosynthesis and the acyl carrier protein
David I. Chan et al.
BIOCHEMICAL JOURNAL (2010)
Solution Structure of an Acyl Carrier Protein Domain from a Fungal Type I Polyketide Synthase
Pakorn Wattana-amorn et al.
BIOCHEMISTRY (2010)
Insights into Protein-Protein and Enzyme-Substrate Interactions in Modular Polyketide Synthases
Lucky Tran et al.
CHEMISTRY & BIOLOGY (2010)
Iron-Catalyzed Halogenation of Alkanes: Modeling of Nonheme Halogenases by Experiment and DFT Calculations
Peter Comba et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Mechanism of Selective Halogenation by SyrB2: A Computational Study
Tomasz Borowski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase
Chengqi Yi et al.
NATURE (2010)
BIOMIMETIC CHEMISTRY Iron opens up to high activity
Sason Shaik
NATURE CHEMISTRY (2010)
3V: cavity, channel and cleft volume calculator and extractor
Neil R. Voss et al.
NUCLEIC ACIDS RESEARCH (2010)
A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in C-H Bond Cleavage by Nonheme Oxoiron(IV) Complexes
Eric J. Klinker et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Why does the enzyme SyrB2 chlorinate, but does not hydroxylate, saturated hydrocarbons? A density functional theory (DFT) study
Shanthi Pandian et al.
DALTON TRANSACTIONS (2009)
Biohalogenation: Nature's Way to Synthesize Halogenated Metabolites
Claudia Wagner et al.
JOURNAL OF NATURAL PRODUCTS (2009)
A DFT Study of Nucleobase Dealkylation by the DNA Repair Enzyme AlkB
Haining Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Structural Analysis of an Open Active Site Conformation of Nonheme Iron Halogenase CytC3
Cintyu Wong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
First-Principles Study of Non-heme Fe(II) Halogenase SyrB2 Reactivity
Heather J. Kulik et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Substrate positioning controls the partition between halogenation and hydroxylation in the aliphatic halogenase, SyrB2
Megan L. Matthews et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
Halogenation strategies in natural product biosynthesis
Christopher S. Neumann et al.
CHEMISTRY & BIOLOGY (2008)
Optimization methods for finding minimum energy paths
Daniel Sheppard et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Non-heme Fe(IV)-oxo intermediates
Carsten Krebs et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Metal ligand substitution and evidence for quinone formation in taurine/α-ketoglutarate dioxygenase
Piotr K. Grzyska et al.
JOURNAL OF INORGANIC BIOCHEMISTRY (2007)
Structural basis for substrate delivery by acyl carrier protein in the yeast fatty acid synthase
Marc Leibundgut et al.
SCIENCE (2007)
Two interconverting Fe(IV) intermediates in aliphatic chlorination by the halogenase CytC3
Danica P. Galonic et al.
NATURE CHEMICAL BIOLOGY (2007)
Direct spectroscopic detection of a C-H-cleaving high-spin Fe(IV) complex in a prolyl-4-hydroxylase
Lee M. Hoffart et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Tunneling and dynamics in enzymatic hydride transfer
Zachary D. Nagel et al.
CHEMICAL REVIEWS (2006)
Nature's inventory of halogenation catalysts: Oxidative strategies predominate
Frederic H. Vaillancourt et al.
CHEMICAL REVIEWS (2006)
Propene activation by the oxo-iron active species of taurine/α-ketoglutarate dioxygenase (TauD) enzyme.: How does the catalysis compare to heme-enzymes?
Sam P. de Visser
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues
Joe Dundas et al.
NUCLEIC ACIDS RESEARCH (2006)
A protein interaction surface in nonribosomal peptide synthesis mapped by combinatorial mutagenesis and selection
JR Lai et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Crystal structure of the non-haem iron halogenase SyrB2 in syringomycin biosynthesis
LC Blasiak et al.
NATURE (2006)
A simple clustering algorithm can be accurate enough for use in calculations of pKs in macromolecules
Jonathan Myers et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
SyrB2 in syringomycin E biosynthesis is a nonherne FeII α-ketoglutarate- and O2-dependent halogenase
FH Vaillancourt et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
H++:: a server for estimating pKas and adding missing hydrogens to macromolecules
JC Gordon et al.
NUCLEIC ACIDS RESEARCH (2005)
Effect of modification of the length and flexibility of the acyl carrier protein-thioesterase interdomain linker on functionality of the animal fatty acid synthase
AK Joshi et al.
BIOCHEMISTRY (2005)
Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
TA Halgren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Dioxygen activation at mononuclear nonheme iron active sites: Enzymes, models, and intermediates
M Costas et al.
CHEMICAL REVIEWS (2004)
Natural organohalogens: a new frontier for medicinal agents?
GW Gribble
JOURNAL OF CHEMICAL EDUCATION (2004)
A perspective on enzyme catalysis
SJ Benkovic et al.
SCIENCE (2003)
The first direct characterization of a high-valent iron intermediate in the reaction of an α-ketoglutarate-dependent dioxygenase:: A high-spin Fe(IV) complex in taurine/α-ketoglutarate dioxygenase (TauD) from Escherichia coli
JC Price et al.
BIOCHEMISTRY (2003)
4′-phosphopantetheine transfer in primary and secondary metabolism of Bacillus subtilis
HD Mootz et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2001)
Site-directed mutagenesis of acyl carrier protein (ACP) reveals amino acid residues involved in ACP structure and acyl-ACP synthetase activity
AS Flaman et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2001)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Geometric and electronic structure/function correlations in non-heme iron enzymes
EI Solomon et al.
CHEMICAL REVIEWS (2000)
分享论文
