X-ray crystallography over the past decade for novel drug discovery – where are we heading next?

Structure of the Type VI Secretion System Contractile Sheath

(2015) Mikhail Kudryashev et al.   CELL

Single-Particle Cryo-EM at Crystallographic Resolution

(2015) Yifan Cheng   CELL

Hybrid methods for macromolecular structure determination: experiment with expectations

(2015) Gunnar F Schröder   CURRENT OPINION IN STRUCTURAL BIOLOGY

Structure of the E. coli ribosome–EF-Tu complex at

(2015) Niels Fischer et al.   NATURE

Atomic structure of anthrax protective antigen pore elucidates toxin translocation

(2015) Jiansen Jiang et al.   NATURE

Atomic-accuracy models from 4.5-Å cryo-electron microscopy data with density-guided iterative local refinement

(2015) Frank DiMaio et al.   NATURE METHODS

De novo protein structure determination from near-atomic-resolution cryo-EM maps

(2015) Ray Yu-Ruei Wang et al.   NATURE METHODS

Epigenetic targets and drug discovery Part 2: Histone demethylation and DNA methylation

(2015) Ke Liu et al.   PHARMACOLOGY & THERAPEUTICS

NMR studies of dynamic biomolecular conformational ensembles

(2015) Dennis A. Torchia   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

How cryo-EM is revolutionizing structural biology

(2015) Xiao-chen Bai et al.   TRENDS IN BIOCHEMICAL SCIENCES

Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin

(2015) Ivan Shabalin et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Tools for macromolecular model building and refinement into electron cryo-microscopy reconstructions

(2015) Alan Brown et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Direct imaging electron microscopy (EM) methods in modern structural biology: Overview and comparison with X-ray crystallography and single-particle cryo-EM reconstruction in the studies of large macromolecules

(2014) Katsuyuki Miyaguchi   BIOLOGY OF THE CELL

Better and faster: improvements and optimization for mammalian recombinant protein production

(2014) Steven C Almo et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

An overview of FDA-approved new molecular entities: 1827–2013

(2014) Michael S. Kinch et al.   DRUG DISCOVERY TODAY

Dph3 Is an Electron Donor for Dph1-Dph2 in the First Step of Eukaryotic Diphthamide Biosynthesis

(2014) Min Dong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The top 100 papers

(2014) Richard Van Noorden et al.   NATURE

Policy: NIH plans to enhance reproducibility

(2014) Francis S. Collins et al.   NATURE

High-resolution structure determination by continuous-rotation data collection in MicroED

(2014) Brent L Nannenga et al.   NATURE METHODS

Epigenetic targets and drug discovery

(2014) Yanli Liu et al.   PHARMACOLOGY & THERAPEUTICS

Methods development for diffraction and spectroscopy studies of metalloenzymes at X-ray free-electron lasers

(2014) J. Kern et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

Trends in structural coverage of the protein universe and the impact of the Protein Structure Initiative

(2014) K. Khafizov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Bacterial tubulin TubZ-Bt transitions between a two-stranded intermediate and a four-stranded filament upon GTP hydrolysis

(2014) Elizabeth A. Montabana et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Double trouble-Buffer selection and His-tag presence may be responsible for nonreproducibility of biomedical experiments

(2014) Karolina A. Majorek et al.   PROTEIN SCIENCE

High-resolution cryo-electron microscopy on macromolecular complexes and cell organelles

(2014) Andreas Hoenger   PROTOPLASMA

Cryo-EM Study of the Chromatin Fiber Reveals a Double Helix Twisted by Tetranucleosomal Units

(2014) F. Song et al.   SCIENCE

Structure of the Yeast Mitochondrial Large Ribosomal Subunit

(2014) A. Amunts et al.   SCIENCE

Proteomics of protein post-translational modifications implicated in neurodegeneration

(2014) Ru-Jing Ren et al.   Translational Neurodegeneration

Solid-State NMR-Based Approaches for Supramolecular Structure Elucidation

(2013) Markus Weingarth et al.   ACCOUNTS OF CHEMICAL RESEARCH

Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ

(2013) Thomas R. M. Barends et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

(2013) Edwin Pozharski et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Visualizing ligand molecules in twilight electron density

(2013) Christian X. Weichenberger et al.   Acta Crystallographica Section F-Structural Biology and Crystallization Communications

Advances, Interactions, and Future Developments in the CNS, Phenix, and Rosetta Structural Biology Software Systems

(2013) Paul D. Adams et al.   Annual Review of Biophysics

Surface plasmon resonance spectroscopy for characterisation of membrane protein–ligand interactions and its potential for drug discovery

(2013) Simon G. Patching   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

EPR assessment of protein sites for incorporation of Gd(III) MRI contrast labels

(2013) Jens O. Lagerstedt et al.   Contrast Media & Molecular Imaging

Protein production from the structural genomics perspective: achievements and future needs

(2013) Steven C Almo et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The future of crystallography in drug discovery

(2013) Heping Zheng et al.   Expert Opinion on Drug Discovery

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination

(2013) Alexander Wlodawer et al.   FEBS Journal

Trendspotting in the Protein Data Bank

(2013) Helen M. Berman et al.   FEBS LETTERS

Validation of metal-binding sites in macromolecular structures with the CheckMyMetal web server

(2013) Heping Zheng et al.   Nature Protocols

High-Throughput Thermal Scanning for Protein Stability: Making a Good Technique More Robust

(2013) Shane A. Seabrook et al.   ACS Combinatorial Science

Handling ligands withCoot

(2012) Judit É. Debreczeni et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Recent Advances in Neuraminidase Inhibitor Development as Anti-influenza Drugs

(2012) Enguang Feng et al.   ChemMedChem

Modeling Anti-HIV Compounds: The Role of Analogue-Based Approaches

(2012) Hemant Kumar Srivastava et al.   Current Computer-Aided Drug Design

Structural genomics plucks high-hanging membrane proteins

(2012) Edda Kloppmann et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Identification of Unknown Protein Function Using Metabolite Cocktail Screening

(2012) Igor A. Shumilin et al.   STRUCTURE

A thermal stability assay can help to estimate the crystallization likelihood of biological samples

(2011) Florine Dupeux 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

High throughput platforms for structural genomics of integral membrane proteins

(2011) Filippo Mancia et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

X-ray crystallography: assessment and validation of protein–small molecule complexes for drug discovery

(2011) David R Cooper et al.   Expert Opinion on Drug Discovery

High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data

(2011) Ming Tang et al.   JOURNAL OF BIOMOLECULAR NMR

Fluorescence quenching and ligand binding: A critical discussion of a popular methodology

(2011) Marco van de Weert et al.   JOURNAL OF MOLECULAR STRUCTURE

Structure Calculation from Unambiguous Long-Range Amide and Methyl1H−1H Distance Restraints for a Microcrystalline Protein with MAS Solid-State NMR Spectroscopy

(2011) Rasmus Linser et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and function of the complete internal fusion loop from Ebolavirus glycoprotein 2

(2011) S. M. Gregory et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A New Generation of Crystallographic Validation Tools for the Protein Data Bank

(2011) Randy J. Read et al.   STRUCTURE

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

Chemical Cross-Linking and Mass Spectrometry As a Low-Resolution Protein Structure Determination Technique

(2010) Pragya Singh et al.   ANALYTICAL CHEMISTRY

Electron Spin-Echo Envelope Modulation (ESEEM) Reveals Water and Phosphate Interactions with the KcsA Potassium Channel,

(2010) John A. Cieslak et al.   BIOCHEMISTRY

Unmet challenges of structural genomics

(2010) Maksymilian Chruszcz et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Higher throughput calorimetry: opportunities, approaches and challenges

(2010) Francisco E Torres et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Fluorescence polarization assays in small molecule screening

(2010) Wendy A Lea et al.   Expert Opinion on Drug Discovery

Diphthamide biosynthesis requires an organic radical generated by an iron–sulphur enzyme

(2010) Yang Zhang et al.   NATURE

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

High-throughput crystallography for structural genomics☆

(2009) Andrzej Joachimiak   CURRENT OPINION IN STRUCTURAL BIOLOGY

Structural origin of weakly ordered nitroxide motion in spin-labeled proteins

(2009) Mark R. Fleissner et al.   PROTEIN SCIENCE

Functional Assignment of Solute-Binding Proteins of ABC Transporters Using a Fluorescence-Based Thermal Shift Assay†

(2008) Sarah E. Giuliani et al.   BIOCHEMISTRY

Determination of Protein Structures—A Series of Fortunate Events

(2008) Maksymilian Chruszcz et al.   BIOPHYSICAL JOURNAL

Inhibitors of Cyclin Dependent Kinases: Useful Targets for Cancer Treatment

(2008) P. Sharma et al.   CURRENT CANCER DRUG TARGETS

Data mining of metal ion environments present in protein structures

(2008) Heping Zheng et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Identification ofN-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design†

(2008) Paul G. Wyatt et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystal Structures of Mite Allergens Der f 1 and Der p 1 Reveal Differences in Surface-Exposed Residues that May Influence Antibody Binding

(2008) Maksymilian Chruszcz et al.   JOURNAL OF MOLECULAR BIOLOGY

Large-scale evaluation of protein reductive methylation for improving protein crystallization

(2008) Youngchang Kim et al.   NATURE METHODS

Structure of the human voltage-dependent anion channel

(2008) M. Bayrhuber et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating

(2008) R. Ujwal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Solution Structure of the Integral Human Membrane Protein VDAC-1 in Detergent Micelles

(2008) S. Hiller et al.   SCIENCE

Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme

(2007) Zhefeng Guo et al.   PROTEIN SCIENCE