Structures of endothiapepsin–fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library

XDSAPP2.0

(2016) Karine M. Sparta et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors

(2015) Maren Kuhnert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening

(2015) Yasushi Amano et al.   BIOORGANIC & MEDICINAL CHEMISTRY

One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists

(2015) Johannes Schiebel et al.   ChemMedChem

Models of protein–ligand crystal structures: trust, but verify

(2015) Marc C. Deller et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The macromolecular crystallography beamlines at BESSY II of the Helmholtz-Zentrum Berlin: Current status and perspectives

(2015) Uwe Mueller et al.   European Physical Journal Plus

Online_DPI: a web server to calculate the diffraction precision index for a protein structure

(2015) K. S. Dinesh Kumar et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

(2013) Joseph D. Bauman et al.   ACS Chemical Biology

Identifying ligand-binding hot spots in proteins using brominated fragments

(2013) Morten K. Grøftehauge et al.   Acta Crystallographica Section F-Structural Biology and Crystallization Communications

Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease

(2013) Theresa Tiefenbrunn et al.   Chemical Biology & Drug Design

Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening

(2013) Joseph D. Bauman et al.   JOURNAL OF MEDICINAL CHEMISTRY

High-Precision Isothermal Titration Calorimetry with Automated Peak-Shape Analysis

(2012) Sandro Keller et al.   ANALYTICAL CHEMISTRY

XDSAPP: a graphical user interface for the convenient processing of diffraction data usingXDS

(2012) Michael Krug et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin

(2012) Uwe Mueller et al.   JOURNAL OF SYNCHROTRON RADIATION

Fragment-based lead discovery grows up

(2012) Monya Baker   NATURE REVIEWS DRUG DISCOVERY

A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes

(2011) Helene Köster et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quantifying instrument errors in macromolecular X-ray data sets

(2010) Kay Diederichs   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

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

Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors

(2010) Nyssa Drinkwater et al.   BIOCHEMICAL JOURNAL

Fragment-Based Screen against HIV Protease

(2010) Alexander L. Perryman et al.   Chemical Biology & Drug Design

Recent progress in fragment-based lead discovery

(2009) Michèle N Schulz et al.   CURRENT OPINION IN PHARMACOLOGY

Fragment-Based Cocktail Crystallography by the Medical Structural Genomics of Pathogenic Protozoa Consortium

(2009) Christophe Verlinde et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography†

(2009) Douglas R. Davies et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent Developments in Fragment-Based Drug Discovery

(2008) Miles Congreve et al.   JOURNAL OF MEDICINAL CHEMISTRY