The Structural Biology of Galectin-Ligand Recognition: Current Advances in Modeling Tools, Protein Engineering, and Inhibitor Design

AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions

(2019) Juan Pablo Arcon et al.   BIOINFORMATICS

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

(2019) Juan Pablo Arcon et al.   Journal of Chemical Information and Modeling

Dissecting the Structure–Activity Relationship of Galectin–Ligand Interactions

(2018) Yi-Chen Chan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Glycosylation-dependent galectin–receptor interactions promoteChlamydia trachomatisinfection

(2018) Agustin L. Lujan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose

(2018) Jiyong Su et al.   BIOSCIENCE REPORTS

Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding

(2017) Jiyong Su et al.   GLYCOBIOLOGY

Galectins and Immune Responses—Just How Do They Do Those Things They Do?

(2016) Sandra Thiemann et al.   Annual Review of Immunology

Galectin-1 inhibitors and their potential therapeutic applications: a patent review

(2016) Helen Blanchard et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure

(2016) Juan M. Romero et al.   GLYCOBIOLOGY

Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking

(2016) Anita K. Nivedha et al.   Journal of Chemical Theory and Computation

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

(2016) Stefano Forli et al.   Nature Protocols

Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors

(2016) Tung-Ju Hsieh et al.   Scientific Reports

WATCLUST: a tool for improving the design of drugs based on protein-water interactions: Fig. 1.

(2015) Elias D. López et al.   BIOINFORMATICS

Structural significance of galectin design: impairment of homodimer stability by linker insertion and partial reversion by ligand presence

(2015) Sabine Vértesy et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Galectin-3 inhibitors: a patent review (2008–present)

(2014) Helen Blanchard et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures

(2014) C. Modenutti et al.   GLYCOBIOLOGY

Structural basis of redox-dependent modulation of galectin-1 dynamics and function

(2014) Carlos M Guardia et al.   GLYCOBIOLOGY

WATsite: Hydration site prediction program with PyMOL interface

(2014) Bingjie Hu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Microbe–Host Interactions are Positively and Negatively Regulated by Galectin–Glycan Interactions

(2014) Linda G. Baum et al.   Frontiers in Immunology

Human Galectin-3 Selective and High Affinity Inhibitors. Present State and Future Perspectives

(2013) R. Tellez-Sanz et al.   CURRENT MEDICINAL CHEMISTRY

Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff

(2013) Anita K. Nivedha et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Solvent structure improves docking prediction in lectin–carbohydrate complexes

(2012) Diego F Gauto et al.   GLYCOBIOLOGY

The roles of Galectin-3 in autoimmunity and tumor progression

(2012) Gordana Radosavljevic et al.   IMMUNOLOGIC RESEARCH

Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril

(2012) Crystal N. Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

A decrease in galectin-1 (Gal-1) levels correlates with an increase in anti-Gal-1 antibodies at the synovial level in patients with rheumatoid arthritis

(2012) D Xibillé-Friedmann et al.   SCANDINAVIAN JOURNAL OF RHEUMATOLOGY

Galectin-1-Specific Inhibitors as a New Class of Compounds To Treat HIV-1 Infection

(2011) Christian St-Pierre et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

When Galectins Recognize Glycans: From Biochemistry to Physiology and Back Again

(2011) Santiago Di Lella et al.   BIOCHEMISTRY

Taloside Inhibitors of Galectin-1 and Galectin-3

(2011) Patrick M. Collins et al.   Chemical Biology & Drug Design

An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network

(2011) Carlos M. A. Guardia et al.   Journal of Chemical Information and Modeling

Galectin-1 Binds to Influenza Virus and Ameliorates Influenza Virus Pathogenesis

(2011) M.-L. Yang et al.   JOURNAL OF VIROLOGY

Burn control, an adipocyte-specific function for galectin-12

(2011) L. G. Baum   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Galectins: regulators of acute and chronic inflammation

(2010) Fu-Tong Liu et al.   Annals of the New York Academy of Sciences

Linking the Structure and Thermal Stability of β-Galactoside-Binding Protein Galectin-1 to Ligand Binding and Dimerization Equilibria

(2010) Santiago Di Lella et al.   BIOCHEMISTRY

Galectin multimerization and lattice formation are regulated by linker region structure

(2010) L. A. Earl et al.   GLYCOBIOLOGY

Lactose Binding to Galectin-1 Modulates Structural Dynamics, Increases Conformational Entropy, and Occurs with Apparent Negative Cooperativity

(2010) Irina V. Nesmelova et al.   JOURNAL OF MOLECULAR BIOLOGY

Carbohydrate-Binding Proteins: Dissecting Ligand Structures through Solvent Environment Occupancy

(2009) Diego F. Gauto et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Roles of galectins in infection

(2009) Gerardo R. Vasta   NATURE REVIEWS MICROBIOLOGY

Galectins: structure, function and therapeutic potential

(2008) Ri-Yao Yang et al.   EXPERT REVIEWS IN MOLECULAR MEDICINE

Functional and structural bases of a cysteine-less mutant as a long-lasting substitute for galectin-1

(2008) Nozomu Nishi et al.   GLYCOBIOLOGY

Ligand Reduces Galectin-1 Sensitivity to Oxidative Inactivation by Enhancing Dimer Formation

(2008) Sean R. Stowell et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural Features of Galectin-9 and Galectin-1 That Determine Distinct T Cell Death Pathways

(2008) Shuguang Bi et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding

(2008) Robert Abel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure of the C-terminal conserved domain of human GRP, a galectin-related protein, reveals a function mode different from those of galectins

(2008) Dongwen Zhou et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS