O. Demir

Computational Discovery of an Allosteric Pocket on APOBEC3B and the Impact of Metal Contamination on Inhibitor Validation

This study identifies a novel allosteric pocket on APOBEC3B using computational methods but finds that metal contamination in screening samples led to false positive inhibitor results.

Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders

This study develops a first-in-class Aurora-A/N-Myc degrader, HLB-0532259, which effectively reduces N-Myc levels and shows tumor reduction in neuroblastoma models.

Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN

This study determines the structure of SARS-CoV-2 ExoN and its interaction with nsp10, revealing mechanisms of RNA substrate binding and exoribonuclease activity.

Discovery of an IKK2 Site that Allosterically Controls Its Activation

This paper identifies a novel allosteric site on IKK2 that can be targeted by small-molecule inhibitors to block its activity without ATP-competitive off-target effects.

Markov State Models and NMR Uncover an Overlooked Allosteric Loop in p53

The paper uses Markov state models and NMR to study p53 mutations, revealing a previously overlooked allosteric loop involved in conformational dynamics and mutation-induced inactivation.

Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B

This study reports structures of APOBEC3B with loop 7 from APOBEC3G, revealing inactive conformations stabilized by small molecules, providing insights for inhibitor design.