Sites for Dynamic Protein-Carbohydrate Interactions of O- and C-Linked Mannosides on the E. coli FimH Adhesin

Mutation of Tyr137 of the universalEscherichia colifimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding

(2017) Said Rabbani et al.   IUCrJ

The Conformational Variability of FimH: Which Conformation Represents the Therapeutic Target?

(2016) Deniz Eris et al.   CHEMBIOCHEM

The Antiadhesive Strategy in Crohn′s Disease: Orally Active Mannosides to Decolonize PathogenicEscherichia colifrom the Gut

(2016) Dimitri Alvarez Dorta et al.   CHEMBIOCHEM

Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI

(2016) Cassie Jarvis et al.   ChemMedChem

Mannose-derived FimH antagonists: a promising anti-virulence therapeutic strategy for urinary tract infections and Crohn’s disease

(2016) Laurel K. Mydock-McGrane et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections

(2016) Laurel Mydock-McGrane et al.   JOURNAL OF MEDICINAL CHEMISTRY

FimH Antagonists: Phosphate Prodrugs Improve Oral Bioavailability

(2016) Simon Kleeb et al.   JOURNAL OF MEDICINAL CHEMISTRY

Second generation of thiazolylmannosides, FimH antagonists for E. coli-induced Crohn's disease

(2016) T. Chalopin et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Structures ofC-mannosylated anti-adhesives bound to the type 1 fimbrial FimH adhesin

(2016) Jerome de Ruyck et al.   IUCrJ

The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography

(2015) Brigitte Fiege et al.   CHEMBIOCHEM

Inhibition profiles of mono- and polyvalent FimH antagonists against 10 different Escherichia coli strains

(2015) T. Chalopin et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Development of Heptylmannoside-Based Glycoconjugate Antiadhesive Compounds against Adherent-Invasive Escherichia coli Bacteria Associated with Crohn's Disease

(2015) A. Sivignon et al.   mBio

Inhibition and Reversal of Microbial Attachment by an Antibody with Parasteric Activity against the FimH Adhesin of Uropathogenic E. coli

(2015) Dagmara I. Kisiela et al.   PLoS Pathogens

Structural bases for N-glycan processing by mannoside phosphorylase

(2015) Simon Ladevèze et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Study of the Structural and Dynamic Effects in the FimH Adhesin upon α-d-Heptyl Mannose Binding

(2014) Sophie Vanwetswinkel et al.   JOURNAL OF MEDICINAL CHEMISTRY

Correction: Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the FimH–Oligomannose-3 Complex

(2014) Adinda Wellens et al.   PLoS One

Branched α-d-mannopyranosides: a new class of potent FimH antagonists

(2014) Tihomir Tomašić et al.   MedChemComm

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Thiazolylaminomannosides As Potent Antiadhesives of Type 1 Piliated Escherichia coli Isolated from Crohn’s Disease Patients

(2013) Sami Brument et al.   JOURNAL OF MEDICINAL CHEMISTRY

Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of FimH

(2013) Goedele Roos et al.   ACS Medicinal Chemistry Letters

Point Mutations in FimH Adhesin of Crohn's Disease-Associated Adherent-Invasive Escherichia coli Enhance Intestinal Inflammatory Response

(2013) Nicolas Dreux et al.   PLoS Pathogens

Carbohydrate–Aromatic Interactions

(2012) Juan Luis Asensio et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin FimH

(2012) Adinda Wellens et al.   BIOCHEMISTRY

FimH Antagonists: Structure-Activity and Structure-Property Relationships for Biphenyl α-D-Mannopyranosides

(2012) Lijuan Pang et al.   ChemMedChem

Antiadhesion Therapy for Urinary Tract Infections—A Balanced PK/PD Profile Proved To Be Key for Success

(2012) Xiaohua Jiang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Lead Optimization Studies on FimH Antagonists: Discovery of Potent and Orally Bioavailable Ortho-Substituted Biphenyl Mannosides

(2012) Zhenfu Han et al.   JOURNAL OF MEDICINAL CHEMISTRY

Target Selectivity of FimH Antagonists

(2012) Meike Scharenberg et al.   JOURNAL OF MEDICINAL CHEMISTRY

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

(2012) James J. P. Stewart   JOURNAL OF MOLECULAR MODELING

Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists

(2011) Oliver Schwardt et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Structural Basis for Mechanical Force Regulation of the Adhesin FimH via Finger Trap-like β Sheet Twisting

(2010) Isolde Le Trong et al.   CELL

The functional valency of dodecamannosylated fullerenes with Escherichia coli FimH—towards novel bacterial antiadhesives

(2010) Maxime Durka et al.   CHEMICAL COMMUNICATIONS

Structure-Based Drug Design and Optimization of Mannoside Bacterial FimH Antagonists

(2010) Zhenfu Han et al.   JOURNAL OF MEDICINAL CHEMISTRY

FimH Antagonists for the Oral Treatment of Urinary Tract Infections: From Design and Synthesis to in Vitro and in Vivo Evaluation

(2010) Tobias Klein et al.   JOURNAL OF MEDICINAL CHEMISTRY

Donor strand exchange and conformational changes during E. coli fimbrial formation

(2010) Isolde Le Trong et al.   JOURNAL OF STRUCTURAL BIOLOGY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Crohn's disease adherent-invasiveEscherichia colicolonize and induce strong gut inflammation in transgenic mice expressing human CEACAM

(2009) Frédéric A. Carvalho et al.   JOURNAL OF EXPERIMENTAL MEDICINE

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS