Thomas B. Adler
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View article: Structure-Based Design and Synthesis of Covalent Inhibitors for Deubiquitinase and Acetyltransferase ChlaDUB1 of <i>Chlamydia trachomatis</i>
Structure-Based Design and Synthesis of Covalent Inhibitors for Deubiquitinase and Acetyltransferase ChlaDUB1 of <i>Chlamydia trachomatis</i> Open
Upon infection by an intracellular pathogen, host cells activate apoptotic pathways to limit pathogen replication. Consequently, efficient proliferation of the obligate intracellular pathogen Chlamydia trachomatis, a major cause of …
View article: Front Cover: Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from <i>Chlamydia trachomatis</i> (ChemMedChem 19/2018)
Front Cover: Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from <i>Chlamydia trachomatis</i> (ChemMedChem 19/2018) Open
The Front Cover shows a covalent inhibitor (orange) simultaneously addressing the active sites of the Chlamydia trachomatis deubiquitylase 1 (Cdu1, green) and the adenovirus protease (adenain, red). The covalent bond is highlighted in yell…
View article: Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from <i>Chlamydia trachomatis</i>
Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from <i>Chlamydia trachomatis</i> Open
Based on the similarity between the active sites of the deubiquitylating and deneddylating enzyme ChlaDub1 (Cdu1) and the evolutionarily related protease adenain, a target‐hopping screening approach on a focused set of adenain inhibitors w…
View article: Testing inhomogeneous solvation theory in structure-based ligand discovery
Testing inhomogeneous solvation theory in structure-based ligand discovery Open
Significance Water molecules play a crucial role in protein–ligand binding. Calculating the energetic consequences of displacing water upon ligand binding has challenged the field for many years. Inhomogeneous solvation theory (IST) is one…