Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping

Realisation of small molecule libraries based on frameworks distantly related to natural products

(2018) Anthony Aimon et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Where is crystallography going?

(2018) Jonathan M. Grimes et al.   Acta Crystallographica Section D-Structural Biology

Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections

(2017) Sherine E. Thomas et al.   JOURNAL OF MOLECULAR BIOLOGY

A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

(2017) Nicholas M. Pearce et al.   Nature Communications

Proper modelling of ligand binding requires an ensemble of bound and unbound states

(2017) Nicholas M. Pearce et al.   Acta Crystallographica Section D-Structural Biology

TheXChemExplorergraphical workflow tool for routine or large-scale protein–ligand structure determination

(2017) Tobias Krojer et al.   Acta Crystallographica Section D-Structural Biology

Gentle, fast and effective crystal soaking by acoustic dispensing

(2017) Patrick M. Collins et al.   Acta Crystallographica Section D-Structural Biology

Protein crystallography and drug discovery: recollections of knowledge exchange between academia and industry

(2017) Tom L. Blundell   IUCrJ

Identifying Interactions that Determine Fragment Binding at Protein Hotspots

(2016) Chris J. Radoux et al.   JOURNAL OF MEDICINAL CHEMISTRY

A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain

(2016) Oakley B. Cox et al.   Chemical Science

Catalytic pathway, substrate binding and stability in SAICAR synthetase: A structure and molecular dynamics study

(2015) Kavyashree Manjunath et al.   JOURNAL OF STRUCTURAL BIOLOGY

Structures of SAICAR synthetase (PurC) fromStreptococcus pneumoniaewith ADP, Mg2+, AIR and Asp

(2014) Nina M. Wolf et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Fragment-based drug discovery using NMR spectroscopy

(2013) Mary J. Harner et al.   JOURNAL OF BIOMOLECULAR NMR

Experiences in fragment-based drug discovery

(2012) Christopher W. Murray et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Data processing and analysis with theautoPROCtoolbox

(2011) Clemens Vonrhein et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

An introduction to data reduction: space-group determination, scaling and intensity statistics

(2011) Philip R. Evans   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

Purine Salvage Pathway in Mycobacterium tuberculosis

(2011) R. G. Ducati et al.   CURRENT MEDICINAL CHEMISTRY

XDS

(2010) Wolfgang Kabsch   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