Computational and Experimental Prediction of Human C-Type Lectin Receptor Druggability

Learning from our mistakes: The ‘unknown knowns’ in fragment screening

(2013) Ben J. Davis et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

A three-stage biophysical screening cascade for fragment-based drug discovery

(2013) Ellene H Mashalidis et al.   Nature Protocols

Structural analysis for glycolipid recognition by the C-type lectins Mincle and MCL

(2013) A. Furukawa et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structures of carbohydrate recognition domain of blood dendritic cell antigen-2 (BDCA2) reveal a common domain-swapped dimer

(2013) Masamichi Nagae et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Signaling by Myeloid C-Type Lectin Receptors in Immunity and Homeostasis

(2012) David Sancho et al.   Annual Review of Immunology

NMR study of ligand release from asialoglycoprotein receptor under solution conditions in early endosomes

(2012) Takuo Onizuka et al.   FEBS Journal

The Dendritic Cell Receptor Clec9A Binds Damaged Cells via Exposed Actin Filaments

(2012) Jian-Guo Zhang et al.   IMMUNITY

Fragment screening to predict druggability (ligandability) and lead discovery success

(2011) Fredrik N.B. Edfeldt et al.   DRUG DISCOVERY TODAY

Targeting Syk-Card9-activating C-type lectin receptors by vaccine adjuvants: Findings, implications and open questions

(2011) Roland Lang et al.   IMMUNOBIOLOGY

Structural Flexibility of the Macrophage Dengue Virus Receptor CLEC5A

(2011) Aleksandra A. Watson 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

Fragment Based Drug Discovery: Practical Implementation Based on 19F NMR Spectroscopy

(2011) John B. Jordan et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Pfam protein families database

(2011) M. Punta et al.   NUCLEIC ACIDS RESEARCH

Quinoxalinoneinhibitors of the lectin DC-SIGN

(2011) Shane L. Mangold et al.   Chemical Science

GMI-1070, a novel pan-selectin antagonist, reverses acute vascular occlusions in sickle cell mice

(2010) J. Chang et al.   BLOOD

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

(2010) Stéphanie Pérot et al.   DRUG DISCOVERY TODAY

Trimeric Structure of Langerin

(2010) Hadar Feinberg et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Analyzing the Topology of Active Sites: On the Prediction of Pockets and Subpockets

(2010) Andrea Volkamer et al.   Journal of Chemical Information and Modeling

Drug-like Density: A Method of Quantifying the “Bindability” of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank

(2010) Robert P. Sheridan et al.   Journal of Chemical Information and Modeling

Understanding and Predicting Druggability. A High-Throughput Method for Detection of Drug Binding Sites

(2010) Peter Schmidtke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ligand Specificity in Fragment-Based Drug Design

(2010) Sarah Barelier et al.   JOURNAL OF MEDICINAL CHEMISTRY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site

(2010) Hadar Feinberg et al.   JOURNAL OF MOLECULAR BIOLOGY

Innate immune lectins kill bacteria expressing blood group antigen

(2010) Sean R Stowell et al.   NATURE MEDICINE

Molecular basis for peptidoglycan recognition by a bactericidal lectin

(2010) Rebecca E. Lehotzky et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

DC-SIGN Neck Domain Is a pH-sensor Controlling Oligomerization

(2009) Georges Tabarani et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identifying and Characterizing Binding Sites and Assessing Druggability

(2009) Thomas A. Halgren   Journal of Chemical Information and Modeling

Lessons for fragment library design: analysis of output from multiple screening campaigns

(2009) I-Jen Chen et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structural Characterisation of Ligand-Binding Determinants in Human Lung Surfactant Protein D: Influence of Asp325

(2009) A.K. Shrive et al.   JOURNAL OF MOLECULAR BIOLOGY

Computational approaches to identifying and characterizing protein binding sites for ligand design

(2009) Stefan Henrich et al.   JOURNAL OF MOLECULAR RECOGNITION

From carbohydrate leads to glycomimetic drugs

(2009) Beat Ernst et al.   NATURE REVIEWS DRUG DISCOVERY

A structural biology view of target drugability

(2008) Ursula Egner et al.   Expert Opinion on Drug Discovery

Protein-glycan interactions in the control of innate and adaptive immune responses

(2008) Yvette van Kooyk et al.   NATURE IMMUNOLOGY