J. Unge

Uncovering the Elusive Structures and Mechanisms of Prevalent Antidepressants

This study uses MicroED and molecular docking to determine the atomic structures and binding mechanisms of five common antidepressants from commercial powder samples.

Unraveling the Structure of Meclizine Dihydrochloride with MicroED

This study determines the 3D crystal structure of meclizine dihydrochloride using MicroED and reveals its binding mechanism to the histamine H1 receptor through molecular docking.

Distinct Conformations of Mirabegron Determined by MicroED

This study uses MicroED to determine two distinct conformations of Mirabegron, revealing structural changes upon receptor binding and highlighting MicroED's utility for API structure analysis.

The structure of the neurotoxin palytoxin determined by MicroED

This study determines the structure of palytoxin using MicroED, revealing its hairpin fold and binding to Na,K-ATPase, providing insights into its mechanism and potential therapeutic applications.

MicroED structure of a protoglobin reactive carbene intermediate

The paper determines the MicroED structure of an Aeropyrum pernix protoglobin variant, revealing how mutations enhance carbene transfer activity and stabilize a reactive iron-carbenoid intermediate.

Benchmarking ideal sample thickness in cryo-EM using MicroED

This study benchmarks the optimal thickness for cryo-EM samples using MicroED, finding that structures can be reliably determined up to twice the inelastic mean free path.