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Publications

Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.

Balıkçı E. et al, (2024), J Med Chem, 67, 7245 - 7259

Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor.

Xiong Y. et al, (2024), J Med Chem, 67, 5837 - 5853

Imidazo[1,2-b]pyridazines as inhibitors of DYRK kinases.

Henderson SH. et al, (2024), Eur J Med Chem, 269

Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.

Raux B. et al, (2024), Bioorg Med Chem Lett, 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), Proc Natl Acad Sci U S A, 120

Controlling Intramolecular Interactions in the Design of Selective, High-Affinity Ligands for the CREBBP Bromodomain.

Brand M. et al, (2021), J Med Chem

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

Boby ML. 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), J Med Chem, 63, 10224 - 10234

Synthesis and Biological Investigation of (+)-JD1, an Organometallic BET Bromodomain Inhibitor

Hassell-Hart S. et al, (2020), Organometallics, 39, 408 - 416

Controlling Intramolecular Interactions in the Design of Selective, High-Affinity, Ligands for the CREBBP Bromodomain

Brand M. et al, (2020)

Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.

Ni X. et al, (2019), ACS Med Chem Lett, 10, 1661 - 1666

A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.

Fagan V. et al, (2019), J Med Chem, 62, 9008 - 9025

Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).

Xiong Y. et al, (2019), J Med Chem, 62, 8996 - 9007

C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.

Le Bihan Y-V. et al, (2019), Eur J Med Chem, 177, 316 - 337

Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.

Böttcher J. et al, (2019), Nat Chem Biol, 15, 822 - 829

Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening.

Resnick E. et al, (2019), J Am Chem Soc, 141, 8951 - 8968

A Chemical Probe For Tudor Domain Protein Spindlin1 to Investigate Chromatin Functions

Fagan V. et al, (2019)

A chemical toolbox for the study of bromodomains and epigenetic signaling.

Wu Q. et al, (2019), Nat Commun, 10

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