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。Local Charge Distributions, Electric Dipole Moments, and Local Electric Fields Influence Reactivity Patterns and Guide Regioselectivities in α-Ketoglutarate-Dependent Non-heme Iron Dioxygenases
Sam P. de Visser et al.
ACCOUNTS OF CHEMICAL RESEARCH (2022)
Properties of the Reactants and Their Interactions within and with the Enzyme Binding Cavity Determine Reaction Selectivities. The Case of Fe(II)/2-Oxoglutarate Dependent Enzymes
Zuzanna Wojdyla et al.
CHEMISTRY-A EUROPEAN JOURNAL (2022)
Electrostatic Perturbations in the Substrate-Binding Pocket of Taurine/α-Ketoglutarate Dioxygenase Determine its Selectivity
Hafiz Saqib Ali et al.
CHEMISTRY-A EUROPEAN JOURNAL (2022)
Atomic and Electronic Structure Determinants Distinguish between Ethylene Formation and L-Arginine Hydroxylation Reaction Mechanisms in the Ethylene-Forming Enzyme
Shobhit S. Chaturvedi et al.
ACS CATALYSIS (2021)
Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases
Rory M. Crean et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)
Iron-catalyzed arene C-H hydroxylation
Lu Cheng et al.
SCIENCE (2021)
C-H Activation: Toward Sustainability and Applications
Toryn Dalton et al.
ACS CENTRAL SCIENCE (2021)
What is the Catalytic Mechanism of Enzymatic Histone N-Methyl Arginine Demethylation and Can It be Influenced by an External Electric Field?
Rajeev Ramanan et al.
CHEMISTRY-A EUROPEAN JOURNAL (2021)
Catalytic Mechanism of Human Ten-Eleven Translocation-2 (TET2) Enzyme: Effects of Conformational Changes, Electric Field, and Mutations
Sodiq O. Waheed et al.
ACS CATALYSIS (2021)
Negative catalysis/non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases
Sam P. de Visser et al.
COORDINATION CHEMISTRY REVIEWS (2021)
X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis
Patrick Rabe et al.
SCIENCE ADVANCES (2021)
TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity
Thijs Stuyver et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H-Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues
Thijs Stuyver et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Second-Coordination Sphere Effects on Selectivity and Specificity of Heme and Nonheme Iron Enzymes
Sam P. de Visser
CHEMISTRY-A EUROPEAN JOURNAL (2020)
Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation
Shobhit S. Chaturvedi et al.
ACS CATALYSIS (2020)
Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair
Sodiq O. Waheed et al.
ACS CENTRAL SCIENCE (2020)
Anaerobic fixed-target serial crystallography
Patrick Rabe et al.
IUCRJ (2020)
Catalysis by the JmjC histone demethylase KDM4A integrates substrate dynamics, correlated motions and molecular orbital control
Rajeev Ramanan et al.
CHEMICAL SCIENCE (2020)
Conformational Dynamics Underlies Different Functions of Human KDM7 Histone Demethylases
Shobhit S. Chaturvedi et al.
CHEMISTRY-A EUROPEAN JOURNAL (2019)
Optimization of the Turnover in Artificial Enzymes via Directed Evolution Results in the Coupling of Protein Dynamics to Chemistry
Joseph W. Schafer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
3d Transition Metals for C-H Activation
Parthasarathy Gandeepan et al.
CHEMICAL REVIEWS (2019)
Nitrene Transfer Catalyzed by a Non-Heme Iron Enzyme and Enhanced by Non-Native Small-Molecule Ligands
Nathaniel W. Goldberg et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Selective Hydrogen Atom Abstraction from Dihydroflavonol by a Nonheme Iron Center Is the Key Step in the Enzymatic Flavonol Synthesis and Avoids Byproducts
Sidra Ghafoor et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Beyond the Second Coordination Sphere: Engineering Dirhodium Artificial Metalloenzymes To Enable Protein Control of Transition Metal Catalysis
Jared C. Lewis
ACCOUNTS OF CHEMICAL RESEARCH (2019)
Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes
Debasish Mandal et al.
ACCOUNTS OF CHEMICAL RESEARCH (2018)
Lysine-241 Has a Role in Coupling 2OG Turnover with Substrate Oxidation During KDM4-Catalysed Histone Demethylation
Rebecca L. Hancock et al.
CHEMBIOCHEM (2018)
Structure and reactivity/selectivity control by oriented-external electric fields
Sason Shaik et al.
CHEMICAL SOCIETY REVIEWS (2018)
Insight into wild-type and T1372E TET2-mediated 5hmC oxidation using ab initio QM/MM calculations
Hedieh Torabifard et al.
CHEMICAL SCIENCE (2018)
Directed Evolution: Bringing New Chemistry to Life
Frances H. Arnold
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Atom Tunneling in the Hydroxylation Process of Taurine/α-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations
Sonia Alvarez-Barcia et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist
Salette Martinez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity
Adrian Romero-Rivera et al.
ACS CATALYSIS (2017)
Iron-Catalyzed C-H Bond Activation
Rui Shang et al.
CHEMICAL REVIEWS (2017)
Stabilization of histone demethylase PHF8 by USP7 promotes breast carcinogenesis
Qian Wang et al.
JOURNAL OF CLINICAL INVESTIGATION (2016)
Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics
Ioanna Zoi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models
Sheel C. Dodani et al.
NATURE CHEMISTRY (2016)
Oriented electric fields as future smart reagents in chemistry
Sason Shaik et al.
NATURE CHEMISTRY (2016)
Elevated expression of histone demethylase PHF8 associates with adverse prognosis in patients of laryngeal and hypopharyngeal squamous cell carcinoma
Gangcai Zhu et al.
EPIGENOMICS (2015)
ChemShell-a modular software package for QM/MM simulations
Sebastian Metz et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes
Edward I. Solomon et al.
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation
Lulu Hu et al.
CELL (2013)
Ab Initio QM/MM Calculations Show an Intersystem Crossing in the Hydrogen Abstraction Step in Dealkylation Catalyzed by AlkB
Dong Fang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Spectroscopic Studies of the Mononuclear Non-Heme FeII Enzyme FIH: Second-Sphere Contributions to Reactivity
Kenneth M. Light et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C-H bond activation by non-heme iron(IV)-oxo cores
Shengfa Ye et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Computational Prediction of Residues Involved in Fidelity Checking for DNA Synthesis in DNA Polymerase I
Sarah E. Graham et al.
BIOCHEMISTRY (2012)
Systematic knockdown of epigenetic enzymes identifies a novel histone demethylase PHF8 overexpressed in prostate cancer with an impact on cell proliferation, migration and invasion
M. Bjorkman et al.
ONCOGENE (2012)
Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory
James M. Mayer
ACCOUNTS OF CHEMICAL RESEARCH (2011)
Catalytic Contributions from Remote Regions of Enzyme Structure
Jeeyeon Lee et al.
CHEMICAL REVIEWS (2011)
Does the TauD Enzyme Always Hydroxylate Alkanes, While an Analogous Synthetic Non-Heme Reagent Always Desaturates Them?
Dandamudi Usharani et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents
Sason Shaik et al.
NATURE CHEMISTRY (2011)
Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
Jeffrey J. Warren et al.
CHEMICAL REVIEWS (2010)
Crystal structure of the PHF8 Jumonji domain, an Nε-methyl lysine demethylase
Wyatt W. Yue et al.
FEBS LETTERS (2010)
PHF8, a gene associated with cleft lip/palate and mental retardation, encodes for an Nε-dimethyl lysine demethylase
Christoph Loenarz et al.
HUMAN MOLECULAR GENETICS (2010)
Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases
John R. Horton et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2010)
Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction
Justin B. Siegel et al.
SCIENCE (2010)
Quantum chemical studies of C-H activation reactions by high-valent nonheme iron centers
Shengfa Ye et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2009)
Reaction Mechanism of the ε Subunit of E-coli DNA Polymerase III: Insights into Active Site Metal Coordination and Catalytically Significant Residues
G. Andres Cisneros et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
De novo computational design of retro-aldol enzymes
Lin Jiang et al.
SCIENCE (2008)
A novel mutation in the PHF8 gene is associated with X-linked mental retardation with cleft lip/cleft palate
F. E. Abidi et al.
CLINICAL GENETICS (2007)
Electrostatic basis for enzyme catalysis
Arieh Warshel et al.
CHEMICAL REVIEWS (2006)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
S Shaik et al.
CHEMICAL REVIEWS (2005)
Theoretical insights in enzyme catalysis
S Martí et al.
CHEMICAL SOCIETY REVIEWS (2004)
DL_POLY: Application to molecular simulation
W Smith et al.
MOLECULAR SIMULATION (2002)
Interloop contacts modulate ligand cycling during catalysis by Escherichia coli dihydrofolate reductase
GP Miller et al.
BIOCHEMISTRY (2001)
分享论文
