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。TheBio3Dpackages for structural bioinformatics
Barry J. Grant et al.
PROTEIN SCIENCE (2021)
A General Strategy to Synthesize ADP-7-Azido-heptose and ADP-Azido-mannoses and Their Heptosyltransferase Binding Properties
Tianlei Li et al.
ORGANIC LETTERS (2021)
Conserved Conformational Hierarchy across Functionally Divergent Glycosyltransferases of the GT-B Structural Superfamily as Determined from Microsecond Molecular Dynamics
Carlos A. Ramirez-Mondragon et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)
Homology modeling, docking and structure-based virtual screening for new inhibitor identification of Klebsiella pneumoniae heptosyltransferase-III
Saroj Kumar Panda et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Opposites Attract: Escherichia coli Heptosyltransferase I Conformational Changes Induced by Interactions between the Substrate and Positively Charged Residues
Joy M. Cote et al.
BIOCHEMISTRY (2020)
Identification and Modeling of a GT-A Fold in the α-Dystroglycan Glycosylating Enzyme LARGE1
Benedetta Righino et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
O-GlcNAcase: Emerging Mechanism, Substrate Recognition and Small-Molecule Inhibitors
Ahmed A. Elbatrawy et al.
CHEMMEDCHEM (2020)
Structural Characterization of N-Linked Glycans in the Receptor Binding Domain of the SARS-CoV-2 Spike Protein and their Interactions with Human Lectins
Maria Pia Lenza et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Glycomics-informed glycoproteomic analysis of site- specific glycosylation for SARS-CoV-2 spike protein
Katelyn E. Rosenbalm et al.
STAR PROTOCOLS (2020)
Biofilm Formations in Pediatric Respiratory Tract Infection Part 2: Mucosal Biofilm Formation by Respiratory Pathogens and Current and Future Therapeutic Strategies to Inhibit Biofilm Formation or Eradicate Established Biofilm
Daniel L. Hamilos
CURRENT INFECTIOUS DISEASE REPORTS (2019)
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
Ercheng Wang et al.
CHEMICAL REVIEWS (2019)
Synthesis, kinetics and inhibition of Escherichia coli Heptosyltransferase I by monosaccharide analogues of Lipid A
Noreen K. Nkosana et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2018)
Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase
Ana S. Ramirez et al.
NATURE COMMUNICATIONS (2018)
Insights into Heptosyltransferase I Catalysis and Inhibition through the Structure of Its Ternary Complex
Markus Blaukopf et al.
STRUCTURE (2018)
Recent Developments and Applications of the MMPBSA Method
Changhao Wang et al.
FRONTIERS IN MOLECULAR BIOSCIENCES (2018)
Glycosylation: a hallmark of cancer?
Bhairavi N. Vajaria et al.
GLYCOCONJUGATE JOURNAL (2017)
Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS
David Albesa-Jove et al.
STRUCTURE (2017)
Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1)
Zhijie Li et al.
NATURE COMMUNICATIONS (2017)
The Stories Tryptophans Tell: Exploring Protein Dynamics of Heptosyltransferase I from Escherichia coli
Joy M. Cote et al.
BIOCHEMISTRY (2017)
The reaction mechanism of retaining glycosyltransferases
Albert Ardevol et al.
BIOCHEMICAL SOCIETY TRANSACTIONS (2016)
A Structural, Functional, and Computational Analysis of BshA, the First Enzyme in the Bacillithiol Biosynthesis Pathway
Kelsey R. Winchell et al.
BIOCHEMISTRY (2016)
Three-dimensional homologymodel of GlcNAc-TV glycosyltransferase
Pavel Janos et al.
GLYCOBIOLOGY (2016)
Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy
Lili Duan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules
Haim Ashkenazy et al.
NUCLEIC ACIDS RESEARCH (2016)
Binding of the substrate UDP-glucuronic acid induces conformational changes in the xanthan gum glucuronosyltransferase
S. R. Salinas et al.
PROTEIN ENGINEERING DESIGN & SELECTION (2016)
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden et al.
EXPERT OPINION ON DRUG DISCOVERY (2015)
Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation
Gesa Volkers et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2015)
Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation
Gesa Volkers et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2015)
pmx: Automated Protein Structure and Topology Generation for Alchemical Perturbations
Vytautas Gapsys et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Advances in understanding glycosyltransferases from a structural perspective
Tracey M. Gloster
CURRENT OPINION IN STRUCTURAL BIOLOGY (2014)
Membrane remodeling capacity of a vesicle-inducing glycosyltransferase
Changrong Ge et al.
FEBS JOURNAL (2014)
The carbohydrate-active enzymes database (CAZy) in 2013
Vincent Lombard et al.
NUCLEIC ACIDS RESEARCH (2014)
Escherichia coli Heptosyltransferase I: Investigation of Protein Dynamics of a GT-B Structural Enzyme
Daniel J. Czyzyk et al.
BIOCHEMISTRY (2013)
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Sander Pronk et al.
BIOINFORMATICS (2013)
Structure-Function Features of a Mycoplasma Glycolipid Synthase Derived from Structural Data Integration, Molecular Simulations, and Mutational Analysis
Javier Romero-Garcia et al.
PLOS ONE (2013)
Mapping the Structural and Dynamical Features of Kinesin Motor Domains
Guido Scarabelli et al.
PLOS COMPUTATIONAL BIOLOGY (2013)
NetworkView: 3D display and analysis of protein•RNA interaction networks
John Eargle et al.
BIOINFORMATICS (2012)
Recent structures, evolution and mechanisms of glycosyltransferases
Christelle Breton et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2012)
New Soft-Core Potential Function for Molecular Dynamics Based Alchemical Free Energy Calculations
Vytautas Gapsys et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
Bill R. Miller et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
ACPYPE - AnteChamber PYthon Parser interfacE
Alan W. Sousa da Silva et al.
BMC RESEARCH NOTES (2012)
Lipopolysaccharide Biosynthesis without the Lipids: Recognition Promiscuity of Escherichia coli Heptosyltransferase I
Daniel J. Czyzyk et al.
BIOCHEMISTRY (2011)
Glycosyltransferase structural biology and its role in the design of catalysts for glycosylation
Aram Chang et al.
CURRENT OPINION IN BIOTECHNOLOGY (2011)
Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values
Chresten R. Sondergaard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (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)
Mechanistic evidence for a front-side, SNi-type reaction in a retaining glycosyltransferase
Seung Seo Lee et al.
NATURE CHEMICAL BIOLOGY (2011)
New structures, chemical functions, and inhibitors for glycosyltransferases
Rajarshi Roychoudhury et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2010)
Structures and mechanisms of the mycothiol biosynthetic enzymes
Fan Fan et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2009)
The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase
Fang Sheng et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2009)
The pKa Values of Acidic and Basic Residues Buried at the Same Internal Location in a Protein Are Governed by Different Factors
Michael J. Harms et al.
JOURNAL OF MOLECULAR BIOLOGY (2009)
Structural and enzymatic analysis of MshA from Corynebacterium glutamicum -: Substrate-assisted catalysis
Matthew W. Vetting et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2008)
Characterization and engineering of the bifunctional N- and O-glucosyltransferase involved in xenobiotic metabolism in plants
Melissa Brazier-Hicks et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Structure of the Escherichia coli heptosyltransferase WaaC:: Binary complexes with ADP AND ADP-2-deoxy-2-fluoro heptose
Sylvestre Grizot et al.
JOURNAL OF MOLECULAR BIOLOGY (2006)
Structures and mechanisms of glycosyltransferases
C Breton et al.
GLYCOBIOLOGY (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes
JP Ma
STRUCTURE (2005)
Molecular dynamics simulations of glycosyltransferase LgtC
L Snajdrová et al.
CARBOHYDRATE RESEARCH (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
ConSeq: the identification of functionally and structurally important residues in protein sequences
C Berezin et al.
BIOINFORMATICS (2004)
Equilibrium free energies from nonequilibrium measurements using maximum-likelihood methods
MR Shirts et al.
PHYSICAL REVIEW LETTERS (2003)
Structure of the TDP-epi-vancosaminyltransferase GtfA from the chloroeremomycin biosynthetic pathway
AM Mulichak et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation
A Jakalian et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Improvements in the analysis of domain motions in proteins from conformational change: DynDom version 1.50
S Hayward et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2002)
What are the dielectric constants of proteins and how to validate electrostatic models?
CN Schutz et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2001)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)
Comparative functional characterization in vitro of heptosyltransferase I (WaaC) and II (WaaF) from Escherichia coli
S Gronow et al.
EUROPEAN JOURNAL OF BIOCHEMISTRY (2000)
分享论文
