De novo fragment-based design of inhibitors of DXS guided by spin-diffusion-based NMR spectroscopy

Structure-Based Approach To Improve a Small-Molecule Inhibitor by the Use of a Competitive Peptide Ligand

(2014) Katsuki Ono et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DXP Synthase-Catalyzed CN Bond Formation: Nitroso Substrate Specificity Studies Guide Selective Inhibitor Design

(2013) Francine Morris et al.   CHEMBIOCHEM

Antimicrobial N-(2-chlorobenzyl)-substituted hydroxamate is an inhibitor of 1-deoxy-d-xylulose 5-phosphate synthase

(2013) Daisuke Hayashi et al.   CHEMICAL COMMUNICATIONS

Druggability of the enzymes of the non-mevalonate-pathway

(2013) Tiziana Masini et al.   DRUG DISCOVERY TODAY

Targeting DXP synthase in human pathogens: enzyme inhibition and antimicrobial activity of butylacetylphosphonate

(2013) Jessica M Smith et al.   JOURNAL OF ANTIBIOTICS

De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation

(2013) Francisco X. Talamas et al.   JOURNAL OF MEDICINAL CHEMISTRY

Accounting for Conformational Variability in Protein–Ligand Docking with NMR-Guided Rescoring

(2013) Lars Skjærven et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thiamin (Vitamin B1) Biosynthesis and Regulation: A Rich Source of Antimicrobial Drug Targets?

(2012) Qinglin Du et al.   International Journal of Biological Sciences

Observation of Thiamin-Bound Intermediates and Microscopic Rate Constants for Their Interconversion on 1-Deoxy-d-xylulose 5-Phosphate Synthase: 600-Fold Rate Acceleration of Pyruvate Decarboxylation by d-Glyceraldehyde-3-phosphate.

(2012) Hetalben Patel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The isoprenoid-precursor dependence of Plasmodium spp.

(2012) Jan-Ytzen van der Meer et al.   NATURAL PRODUCT REPORTS

Experiences in fragment-based drug discovery

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

INPHARMA-based identification of ligand binding site in fragment-based drug design

(2012) Isabelle Krimm   MedChemComm

The MEP pathway and the development of inhibitors as potential anti-infective agents

(2012) Ian Hale et al.   MedChemComm

Biochemistry of the non-mevalonate isoprenoid pathway

(2011) Tobias Gräwert et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

1-Deoxy-d-xylulose 5-Phosphate Synthase Catalyzes a Novel Random Sequential Mechanism

(2011) Leighanne A. Brammer et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Combining Global and Local Measures for Structure-Based Druggability Predictions

(2011) Andrea Volkamer et al.   Journal of Chemical Information and Modeling

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function

(2011) Nadine Schneider et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The challenge of new drug discovery for tuberculosis

(2011) Anil Koul et al.   NATURE

Selective inhibition of E. coli1-deoxy-d-xylulose-5-phosphate synthase by acetylphosphonates

(2011) Jessica M. Smith et al.   MedChemComm

A protecting group-free synthesis of deazathiamine: A step toward inhibitor design

(2010) Hong Zhao et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Feeding the Antimalarial Pipeline

(2010) Martin Schlitzer et al.   ChemMedChem

NMR methods in fragment screening: theory and a comparison with other biophysical techniques

(2009) Claudio Dalvit   DRUG DISCOVERY TODAY

An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

(2009) Roger S. Armen et al.   Journal of Chemical Theory and Computation

Dynamics in the p38α MAP Kinase–SB203580 Complex Observed by Liquid-State NMR Spectroscopy

(2008) Valerie S. Honndorf et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystallography-Independent Determination of Ligand Binding Modes

(2008) Julien Orts et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure–activity relationships of compounds targeting mycobacterium tuberculosis 1-deoxy-d-xylulose 5-phosphate synthase

(2008) Jialin Mao et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Thiamin Diphosphate Catalysis: Enzymic and Nonenzymic Covalent Intermediates

(2008) Ronald Kluger et al.   CHEMICAL REVIEWS

Specific Methyl Group Protonation for the Measurement of Pharmacophore-Specific Interligand NOE Interactions

(2008) Julien Orts et al.   CHEMISTRY-A EUROPEAN JOURNAL

Towards an Integrated Description of Hydrogen Bonding and Dehydration: Decreasing False Positives in Virtual Screening with the HYDE Scoring Function

(2008) Ingo Reulecke et al.   ChemMedChem

The Non-Mevalonate Pathway to Isoprenoid Biosynthesis: A Potential Source of New Drug Targets

(2008) Anna K. H. Hirsch et al.   CHIMIA

Ligand efficiency and fragment-based drug discovery

(2008) Scott D. Bembenek et al.   DRUG DISCOVERY TODAY

Recent Developments in Fragment-Based Drug Discovery

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

Perspectives on NMR in drug discovery: a technique comes of age

(2008) Maurizio Pellecchia et al.   NATURE REVIEWS DRUG DISCOVERY