ArticleCommunications biology2020
Visualizing drug binding interactions using microcrystal electron diffraction.
Article in Communications biology, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Application of electron diffraction to rapid structural elucidation of crude reaction products.Communications chemistry · 2026Article
- Limiting the effects of radiation damage in MicroED through dose selection during data processing.Acta crystallographica. Section D, Structural biology · 2025Article
- Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.Journal of applied crystallography · 2025Article
- Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.bioRxiv : the preprint server for biology · 2025Article
- Fragment-based drug discovery: A graphical review.Current research in pharmacology and drug discovery · 2025Review
- MicroED in drug discovery.Current opinion in structural biology · 2023Review
- Electron Diffraction of 3D Molecular Crystals.Chemical reviews · 2022Review
- 3D electron diffraction for structure determination of small-molecule nanocrystals: A possible breakthrough for the pharmaceutical industry.Wiley interdisciplinary reviews. Nanomedicine and nanobiotechnology · 2022Review
- Visualizing the Entire Range of Noncovalent Interactions in Nanocrystalline Hybrid Materials Using 3D Electron Diffraction.Journal of the American Chemical Society · 2022Article
- Unlocking the potential of MICROCRYSTAL ELECTRON DIFFRACTION.Physics today · 2022Article
- Review
- Fragment-to-Lead Medicinal Chemistry Publications in 2020.Journal of medicinal chemistry · 2022Review
- Hydrogens and hydrogen-bond networks in macromolecular MicroED data.Journal of structural biology: X · 2022Article
- Experiences From Developing Software for Large X-Ray Crystallography-Driven Protein-Ligand Studies.Frontiers in molecular biosciences · 2022Article
- MicroED for the study of protein-ligand interactions and the potential for drug discovery.Nature reviews. Chemistry · 2021Review
- MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.Nature communications · 2021Article
- MicroED in natural product and small molecule research.Natural product reports · 2021Review
- Macromolecular crystallography using microcrystal electron diffraction.Acta crystallographica. Section D, Structural biology · 2021Review
- Chagas Disease: Perspectives on the Past and Present and Challenges in Drug Discovery.Molecules (Basel, Switzerland) · 2020Review
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Visualizing ligand binding interactions is important for structure-based drug design and fragment-based screening methods. Rapid and uniform soaking with potentially reduced lattice defects make small macromolecular crystals attractive targets for studying drug binding using microcrystal electron diffraction (MicroED). However, so far no drug binding interactions could unambiguously be resolved by electron diffraction alone. Here, we use MicroED to study the binding of a sulfonamide inhibitor to human carbonic anhydrase isoform II (HCA II). We show that MicroED data can efficiently be collected on a conventional transmission electron microscope from thin hydrated microcrystals soaked with the clinical drug acetazolamide (AZM). The data are of high enough quality to unequivocally fit and resolve the bound inhibitor. We anticipate MicroED can play an important role in facilitating in-house fragment screening for drug discovery, complementing existing methods in structural biology such as X-ray and neutron diffraction.
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