Binding-Site Purification of Actives (B-SPA) Enables Efficient Large-Scale Progression of Fragment Hits by Combining Multi-Step Array Synthesis With HT Crystallography.
Grosjean H. et al, (2025), Angewandte Chemie (International ed. in English)
Covalent Inhibitors of S100A4 Block the Formation of a Pro-Metastasis Non-Muscle Myosin 2A Complex
Giroud C. et al, (2024), Journal of Medicinal Chemistry, 67, 18943 - 18956
Enabling equitable and affordable access to novel therapeutics for pandemic preparedness and response via creative intellectual property agreements
Griffen EJ. and Boulet P., (2024), Wellcome Open Research, 9, 374 - 374
Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist
Balıkçı E. et al, (2024), Journal of Medicinal Chemistry, 67, 7245 - 7259
Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor.
Xiong Y. et al, (2024), Journal of medicinal chemistry, 67, 5837 - 5853
Imidazo[1,2-b]pyridazines as inhibitors of DYRK kinases.
Henderson SH. et al, (2024), European journal of medicinal chemistry, 269
Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Raux B. et al, (2024), Bioorganic & medicinal chemistry letters, 98
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Boby ML. et al, (2023), Science, 382
Turning high-throughput structural biology into predictive inhibitor design.
Saar KL. et al, (2023), Proceedings of the National Academy of Sciences of the United States of America, 120
Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors
Schuller M. et al, (2023), Pathogens, 12, 324 - 324
Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
Londregan AT. et al, (2023), Journal of medicinal chemistry, 66, 460 - 472
Discovery of a Potent Dual SLK/STK10 Inhibitor Based on a Maleimide Scaffold.
Serafim RAM. et al, (2021), Journal of medicinal chemistry
Discovery and Characterization of Selective and Ligand-Efficient DYRK Inhibitors.
Henderson SH. et al, (2021), Journal of medicinal chemistry, 64, 11709 - 11728
Controlling Intramolecular Interactions in the Design of Selective, High-Affinity Ligands for the CREBBP Bromodomain
Brand M. et al, (2021), Journal of Medicinal Chemistry
Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking.
Schuller M. et al, (2020), bioRxiv
Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors
Achdout H. et al, (2020)
DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity
Schröder M. et al, (2020), Journal of Medicinal Chemistry, 63, 10224 - 10234
Synthesis and Biological Investigation of (+)-JD1, an Organometallic BET Bromodomain Inhibitor
Hassell-Hart S. et al, (2020), ORGANOMETALLICS, 39, 408 - 416
Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1
Ni X. et al, (2019), ACS Medicinal Chemistry Letters, 10, 1661 - 1666
A chemical toolbox for the study of bromodomains and epigenetic signaling
Wu Q. et al, (2019), Nature Communications, 10