T. Gonen

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.

Eliminating the missing cone challenge through innovative approaches

This paper demonstrates that suspended drop crystallization eliminates the missing cone challenge in MicroED for thin plate crystals.

MicroED structure of the C11 cysteine protease Clostripain

This paper determines the structure of Clostripain using MicroED, revealing its catalytic dyad and substrate binding pocket.

Structure determination of a DNA crystal by MicroED

This study uses MicroED and cryo-FIB milling to determine a 1.10 Å resolution structure of d(CGCGCG)2 DNA crystals.

Polymorphic Structure Determination of the Macrocyclic Drug Paritaprevir by MicroED

This paper reports two polymorphic crystal structures of paritaprevir determined by MicroED, showing conformational changes and potential drug-target interactions.

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.

MicroED as a powerful tool for structure determination of macrocyclic drug compounds directly from their powder formulations

This study uses MicroED to rapidly determine atomic structures of flexible macrocyclic drug compounds from nanogram samples, revealing multiple conformations from a single experiment.

MicroED structure of the human vasopressin 1B receptor

This paper determines the structure of the human vasopressin 1B receptor using MicroED, overcoming challenges in GPCR structural determination.

Electron-counting in MicroED

This paper discusses the benefits of electron-counting detectors in MicroED, highlighting their ability to improve data recording speed and accuracy while reducing radiation damage concerns.

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.

Design and implementation of suspended drop crystallization

This paper introduces a new crystal growth method called suspended drop crystallization, which allows for direct crystal growth on an EM grid and enables structure determination by MicroED.

Improving the solubility of pseudo-hydrophobic Alzheimer's Disease medicinal chemicals through co-crystal formulation

This study shows that forming salts of dihydromyricetin (DHM) improves its solubility and inhibitory activity against Alzheimer's disease tau, suggesting potential for medicinal chemistry applications.

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.

A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals

This paper introduces a method to prepare lipidic cubic phase (LCP) membrane protein crystals for MicroED by using fluorescence microscopy to identify and mill crystals without converting LCP to sponge phase.

Electron-counting MicroED data with the K2 and K3 direct electron detectors

This paper demonstrates the use of K2 and K3 direct electron detectors in electron-counting mode for MicroED data collection, enabling structure determination of macromolecules at resolutions between 1.2 and 2.8 Å.

Lipid flipping in the omega-3 fatty-acid transporter

This study reports cryo-EM structures of Mfsd2a, revealing the Na+-dependent lipid flipping mechanism for omega-3 fatty acid transport across the BBB and identifying disease-associated mutants.

Hydrogens and hydrogen-bond networks in macromolecular MicroED data

This study uses MicroED to identify hydrogen atom positions and hydrogen bonding networks in proteins, providing detailed structural insights for drug discovery and structural biology.

Ab initio phasing macromolecular structures using electron-counted MicroED data

The paper determines the structures of two proteins using ab initio phasing with MicroED data collected on a direct electron detector in counting mode.

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.

MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP

The paper determines the structure of the human A2A adenosine receptor using MicroED after converting LCP to sponge phase and cryoFIB milling, achieving 2.8 Å resolution.

MicroED structure of lipid-embedded mammalian mitochondrial voltage dependent anion channel

The paper determines the near-atomic structure of mouse VDAC using MicroED after milling microcrystals grown in a lipid matrix.

Efficient, high-throughput ligand incorporation into protein microcrystals by on-grid soaking

This paper introduces a method for efficiently soaking ligands into protein microcrystals on TEM grids, achieving higher ligand occupancy and resolution compared to traditional X-ray crystallography.

Experimental phasing of MicroED data using radiation damage

The paper determines the structure of a seven-residue peptide using MicroED by analyzing radiation damage-induced differences in diffraction data.

Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals

This study compares serial X-ray crystallography and MicroED for determining structures from small macromolecular crystals, highlighting their strengths and challenges.

Structure determination from lipidic cubic phase embedded microcrystals by MicroED

This study demonstrates the use of modified LCP and MicroED protocols to determine structures from microcrystals embedded in LCP using proteinase K as a model system.

MicroED with the Falcon III direct electron detector

This study evaluates two electron detectors for MicroED, showing the Falcon III reduces radiation damage and improves data collection speed and efficiency.

Qualitative analyses of polishing and pre-coating FIB milled crystals for MicroED

This study evaluates polishing and pre-coating techniques for FIB-milled crystals in MicroED, finding that platinum pre-coating and polishing improve signal-to-noise ratio, resolution, and refinement statistics.

Homochiral and racemic MicroED structures of a peptide from the ice nucleation protein InaZ

The paper determines homochiral and racemic structures of a peptide from InaZ using MicroED, revealing amyloid-like protofibrils with distinct chiral arrangements.

MicroED data collection with SerialEM

The paper describes a procedure for automated MicroED data collection using SerialEM, enabling high-throughput data collection of over 300 datasets overnight.