Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1

Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

(2016) Biswaranjan Mohanty et al.   JOURNAL OF BIOMOLECULAR NMR

NMR-Based Determination of the 3D Structure of the Ligand–Protein Interaction Site without Protein Resonance Assignment

(2016) Julien Orts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Promiscuous 2-Aminothiazoles (PrATs): A Frequent Hitting Scaffold

(2015) Shane M. Devine et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of amylase-binding protein A ofStreptococcus gordonii: A potential receptor for human salivary α-amylase enzyme

(2015) Ashish Sethi et al.   PROTEIN SCIENCE

Sent packing: protein engineering generates a new crystal form ofPseudomonas aeruginosaDsbA1 with increased catalytic surface accessibility

(2015) Roisin M. McMahon et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Application of Fragment-Based Screening to the Design of Inhibitors ofEscherichia coliDsbA

(2014) Luke A. Adams et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure of theAcinetobacter baumanniiDithiol Oxidase DsbA Bound to Elongation Factor EF-Tu Reveals a Novel Protein Interaction Site

(2014) Lakshmanane Premkumar et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Off-Rate Screening (ORS) By Surface Plasmon Resonance. An Efficient Method to Kinetically Sample Hit to Lead Chemical Space from Unpurified Reaction Products

(2014) James B. Murray et al.   JOURNAL OF MEDICINAL CHEMISTRY

Disarming Burkholderia pseudomallei: Structural and Functional Characterization of a Disulfide Oxidoreductase (DsbA) Required for Virulence In Vivo

(2013) Philip M. Ireland et al.   ANTIOXIDANTS & REDOX SIGNALING

Design and Evaluation of the Performance of an NMR Screening Fragment Library

(2013) Bradley C. Doak et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations

(2013) György G. Ferenczy et al.   JOURNAL OF MEDICINAL CHEMISTRY

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery

(2013) H. L. Silvestre et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The 1.2 Å resolution crystal structure of TcpG, theVibrio choleraeDsbA disulfide-forming protein required for pilus and cholera-toxin production

(2012) Patricia M. Walden et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Rapid Protein–Ligand Costructures from Sparse NOE Data

(2012) Dipen M. Shah et al.   JOURNAL OF MEDICINAL CHEMISTRY

iMOSFLM: a new graphical interface for diffraction-image processing withMOSFLM

(2011) T. Geoff G. Battye et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

Assessing the lipophilicity of fragments and early hits

(2011) Paul N. Mortenson et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery

(2010) Wolfgang Jahnke et al.   Nature Chemical Biology

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

MolProbity: all-atom structure validation for macromolecular crystallography

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

Characterization of the DsbA Oxidative Folding Catalyst from Pseudomonas aeruginosa Reveals a Highly Oxidizing Protein that Binds Small Molecules

(2009) Stephen R. Shouldice et al.   ANTIOXIDANTS & REDOX SIGNALING

Characterization of Two Homologous Disulfide Bond Systems Involved in Virulence Factor Biogenesis in Uropathogenic Escherichia coli CFT073

(2009) M. Totsika et al.   JOURNAL OF BACTERIOLOGY

The Structure of the Bacterial Oxidoreductase Enzyme DsbA in Complex with a Peptide Reveals a Basis for Substrate Specificity in the Catalytic Cycle of DsbA Enzymes

(2009) Jason J. Paxman et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

DSB proteins and bacterial pathogenicity

(2009) Begoña Heras et al.   NATURE REVIEWS MICROBIOLOGY

Bad Bugs, No Drugs: No ESKAPE! An Update from the Infectious Diseases Society of America

(2008) Helen W. Boucher et al.   CLINICAL INFECTIOUS DISEASES

Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH

(2008) Jochen Volk et al.   JOURNAL OF BIOMOLECULAR NMR

Automated amino acid side-chain NMR assignment of proteins using 13C- and 15N-resolved 3D [1H,1H]-NOESY

(2008) Francesco Fiorito et al.   JOURNAL OF BIOMOLECULAR NMR

An Inhibitor of FtsZ with Potent and Selective Anti-Staphylococcal Activity

(2008) D. J. Haydon et al.   SCIENCE