Evidence map›Paper›PMID 37944119›Full record

ArticleACS chemical biology2023

MicroED as a Powerful Tool for Structure Determination of Macrocyclic Drug Compounds Directly from Their Powder Formulations.

Emma Danelius, Guanhong Bu, Lianne H E Wieske, Tamir Gonen

Abstract read
In one paragraph

Article in ACS chemical biology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.

0numbers the graph read from it
0cells of the map it votes in
16citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

16 citing papers in PubMed.

  1. Review
  2. Article
  3. Rapid Structural Analysis of Natural Products Using MicroED.Small (Weinheim an der Bergstrasse, Germany) · 2026
    Article
  4. Article
  5. Article
  6. Article
  7. Molecular chameleons adaptability in target binding.Structural dynamics (Melville, N.Y.) · 2025
    Article
  8. Structure of L-arginine and detection of trace DL-arginine by 3D ED.Acta crystallographica. Section C, Structural chemistry · 2025
    Article
  9. Review
  10. Unraveling atomic complexity from frozen samples.Structural dynamics (Melville, N.Y.) · 2025
    Article
  11. An Updated Structure of Oxybutynin Hydrochloride.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024
    Article
  12. Article
  13. An Updated Structure of Oxybutynin Hydrochloride.bioRxiv : the preprint server for biology · 2024
    Article
  14. Applying 3D ED/MicroED workflows toward the next frontiers.Acta crystallographica. Section C, Structural chemistry · 2024
    Article
  15. Article
  16. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

4 authors.

Emma DaneliusHoward Hughes Medical Institute, University of California Los Angeles, Los Angeles, California 90095, United States.ORCID 0000-0002-7322-9661
Guanhong BuDepartment of Biological Chemistry, University of California Los Angeles, 615 Charles E.Young Drive South, Los Angeles, California 90095, United States.ORCID 0000-0002-2797-5161
Lianne H E WieskeDepartment of Chemistry - BMC, Uppsala University, Husargatan 3, 75237 Uppsala, Sweden.ORCID 0000-0003-4617-7605
Tamir GonenHoward Hughes Medical Institute, University of California Los Angeles, Los Angeles, California 90095, United States.ORCID 0000-0002-9254-4069

Funding

TRD4: Design and Engineering of MicroED hardware for nanocrystallization and time resolved studiesP41GM136508 · NIGMS · UNIVERSITY OF CALIFORNIA LOS ANGELES · PI GONEN, TAMIR · 2020 to 2024
$7.6M
NIGMS NIH HHS P41 GM136508
6 · The paper itself

Abstract

Macrocycles are important drug leads with many advantages including the ability to target flat and featureless binding sites as well as to act as molecular chameleons and thereby reach intracellular targets. However, due to their complex structures and inherent flexibility, macrocycles are difficult to study structurally, and there are limited structural data available. Herein, we use the cryo-EM method MicroED to determine the novel atomic structures of several macrocycles that have previously resisted structural determination. We show that structures of similar complexity can now be obtained rapidly from nanograms of material and that different conformations of flexible compounds can be derived from the same experiment. These results will have an impact on contemporary drug discovery as well as natural product exploration.

Indexed as

Macrocyclic CompoundsBinding SitesCryoelectron MicroscopyDrug DiscoveryMolecular ConformationPowdersMacrocyclic CompoundsPowders

Identifiers

PMID37944119
PMCPMC10728894

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.