Evidence map›Paper›PMID 38012131›Full record

ArticleNature communications2023

LipIDens: simulation assisted interpretation of lipid densities in cryo-EM structures of membrane proteins.

T Bertie Ansell, Wanling Song, Claire E Coupland, Loic Carrique, Robin A Corey, Anna L Duncan, C Keith Cassidy, Maxwell M G Geurts, Tim Rasmussen, Andrew B Ward and 3 more

Abstract read
In one paragraph

Article in Nature communications, 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. Article
  2. Article
  3. Review
  4. Article
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  7. Article
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  10. Article
  11. MprF fromScience advances · 2025
    Article
  12. Review
  13. Article
  14. Article
  15. Lipid regulation of the glucagon receptor family.The Journal of endocrinology · 2024
    Review
  16. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

13 authors.

T Bertie AnsellDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.
Wanling SongDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.
Claire E CouplandDivision of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford, OX3 7BN, UK.
Loic CarriqueDivision of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford, OX3 7BN, UK.
Robin A CoreyDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.ORCID 0000-0003-1820-7993
Anna L DuncanDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.ORCID 0000-0001-9873-4552
C Keith CassidyDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.ORCID 0000-0001-8106-1187
Maxwell M G GeurtsDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK.
Tim RasmussenBiocenter and Rudolf-Virchow-Zentrum, Universität Würzburg, Haus D15, Josef-Schneider-Str. 2, 97080, Würzburg, Germany.ORCID 0000-0003-1126-846X
Andrew B WardDepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, 92037, USA.ORCID 0000-0001-7153-3769
Christian SieboldDivision of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford, OX3 7BN, UK.
Phillip J StansfeldSchool of Life Sciences & Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.ORCID 0000-0001-8800-7669
Mark S P SansomDepartment of Biochemistry, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK. mark.sansom@bioch.ox.ac.uk.ORCID 0000-0001-6360-7959

Funding

Biotechnology and Biological Sciences Research Council BB/R00126X/1Cancer Research UK 26752Cancer Research UK DRCRPG-MAY23/100002Wellcome Trust
6 · The paper itself

Abstract

Cryo-electron microscopy (cryo-EM) enables the determination of membrane protein structures in native-like environments. Characterising how membrane proteins interact with the surrounding membrane lipid environment is assisted by resolution of lipid-like densities visible in cryo-EM maps. Nevertheless, establishing the molecular identity of putative lipid and/or detergent densities remains challenging. Here we present LipIDens, a pipeline for molecular dynamics (MD) simulation-assisted interpretation of lipid and lipid-like densities in cryo-EM structures. The pipeline integrates the implementation and analysis of multi-scale MD simulations for identification, ranking and refinement of lipid binding poses which superpose onto cryo-EM map densities. Thus, LipIDens enables direct integration of experimental and computational structural approaches to facilitate the interpretation of lipid-like cryo-EM densities and to reveal the molecular identities of protein-lipid interactions within a bilayer environment. We demonstrate this by application of our open-source LipIDens code to ten diverse membrane protein structures which exhibit lipid-like densities.

Indexed as

Membrane ProteinsMolecular Dynamics SimulationCryoelectron MicroscopyMembrane LipidsProtein ConformationMembrane LipidsMembrane Proteins

Identifiers

PMID38012131
PMCPMC10682427

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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.