Strategies for carbohydrate model building, refinement and validation

Keep it together: restraints in crystallographic refinement of macromolecule–ligand complexes

(2017) Roberto A. Steiner et al.   Acta Crystallographica Section D-Structural Biology

AceDRG: a stereochemical description generator for ligands

(2017) Fei Long et al.   Acta Crystallographica Section D-Structural Biology

Corrigendum: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism

(2016) Andrew J. Thompson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The reaction mechanism of retaining glycosyltransferases

(2016) A. Ardevol et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B, and G

(2016) Guillaume B.E. Stewart-Jones et al.   CELL

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

(2016) Paul D. Adams et al.   STRUCTURE

Structural and functional studies of the glycoside hydrolase family 3 β-glucosidase Cel3A from the moderately thermophilic fungusRasamsonia emersonii

(2016) Mikael Gudmundsson et al.   Acta Crystallographica Section D-Structural Biology

Three-dimensional structures of two heavily N-glycosylatedAspergillussp. family GH3 β-D-glucosidases

(2016) Jon Agirre et al.   Acta Crystallographica Section D-Structural Biology

Glycoblocks: a schematic three-dimensional representation for glycans and their interactions

(2016) Stuart McNicholas et al.   Acta Crystallographica Section D-Structural Biology

A new default restraint library for the protein backbone inPhenix: a conformation-dependent geometry goes mainstream

(2016) Nigel W. Moriarty et al.   Acta Crystallographica Section D-Structural Biology

Structures of Ebola virus GP and sGP in complex with therapeutic antibodies

(2016) Jesper Pallesen et al.   Nature Microbiology

Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism

(2015) Andrew J. Thompson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Symbol Nomenclature for Graphical Representations of Glycans

(2015) Ajit Varki et al.   GLYCOBIOLOGY

Structural and spectroscopic characterisation of a heme peroxidase from sorghum

(2015) Chukwudi I. Nnamchi et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Carbohydrate–Aromatic Interactions in Proteins

(2015) Kieran L. Hudson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Erratum: Addendum: Interception of teicoplanin oxidation intermediates yields new antimicrobial scaffolds

(2015) Yu-Chen Liu et al.   Nature Chemical Biology

Carbohydrate anomalies in the PDB

(2015) Jon Agirre et al.   Nature Chemical Biology

Privateer: software for the conformational validation of carbohydrate structures

(2015) Jon Agirre et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases

(2015) Javier Iglesias-Fernández et al.   Chemical Science

Privateer: software for the conformational validation of carbohydrate structures

(2015) Jon Agirre et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

History of the Harvard ChemDraw Project

(2014) David A. Evans   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

(2014) John D. Westbrook et al.   BIOINFORMATICS

Conformation-dependent backbone geometry restraints set a new standard for protein crystallographic refinement

(2014) Nigel W. Moriarty et al.   FEBS Journal

Protein–Ligand Cocrystal Structures: We Can Do Better

(2014) Charles H. Reynolds   ACS Medicinal Chemistry Letters

Automated nucleic acid chain tracing in real time

(2014) Kevin Cowtan   IUCrJ

Crystal structures of glycoside hydrolase family 3 β-glucosidase 1 fromAspergillus aculeatus

(2013) Kentaro Suzuki et al.   BIOCHEMICAL JOURNAL

Protein-Carbohydrate Interactions Studied by NMR: From Molecular Recognition to Drug Design

(2013) Maria del Carmen Fernandez-Alonso et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

The carbohydrate-active enzymes database (CAZy) in 2013

(2013) Vincent Lombard et al.   NUCLEIC ACIDS RESEARCH

UniCarbKB: building a knowledge platform for glycoproteomics

(2013) Matthew P. Campbell et al.   NUCLEIC ACIDS RESEARCH

Crystal structure of sialylated IgG Fc: Implications for the mechanism of intravenous immunoglobulin therapy

(2013) M. Crispin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Statistical quality indicators for electron-density maps

(2012) Ian J. Tickle   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

JLigand: a graphical tool for theCCP4 template-restraint library

(2012) Andrey A. Lebedev et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Towards automated crystallographic structure refinement withphenix.refine

(2012) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The GlycanBuilder and GlycoWorkbench glycoinformatics tools: updates and new developments

(2012) David Damerell et al.   BIOLOGICAL CHEMISTRY

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures

(2012) John Liebeschuetz et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Conformational Analyses of the Reaction Coordinate of Glycosidases

(2011) Gideon J. Davies et al.   ACCOUNTS OF CHEMICAL RESEARCH

A conformation-dependent stereochemical library improves crystallographic refinement even at atomic resolution

(2011) Dale E. Tronrud et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Presenting your structures: theCCP4mgmolecular-graphics software

(2011) S. McNicholas et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The Phenix software for automated determination of macromolecular structures

(2011) Paul D. Adams et al.   METHODS

Interception of teicoplanin oxidation intermediates yields new antimicrobial scaffolds

(2011) Yu-Chen Liu et al.   Nature Chemical Biology

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins

(2010) Dale E. Tronrud et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The Conformational Free-Energy Landscape of β-d-Mannopyranose: Evidence for a1S5→ B2,5→OS2Catalytic Itinerary in β-Mannosidases

(2010) Albert Ardèvol et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analysis and validation of carbohydrate three-dimensional structures

(2009) Thomas Lütteke   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation

(2009) Nigel W. Moriarty et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Crystallography Open Database – an open-access collection of crystal structures

(2009) Saulius Gražulis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Proposal for a standard system for drawing structural diagrams ofN- andO-linked carbohydrates and related compounds

(2009) David J. Harvey et al.   PROTEOMICS

Symbol nomenclature for glycan representation

(2009) Ajit Varki et al.   PROTEOMICS