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Record W4404224827 · doi:10.1038/s41594-024-01414-3

Structural basis of the mechanism and inhibition of a human ceramide synthase

2024· article· en· W4404224827 on OpenAlexfundno aff
Tomas C. Pascoa, A.C.W. Pike, Christofer S. Tautermann, Gamma Chi, Michael Traub, Andrew Quigley, R. Chalk, Saša Štefanić, Sven Thamm, Alexander Pautsch, Elisabeth P. Carpenter, Gisela Schnapp, David B. Sauer

Bibliographic record

VenueNature Structural & Molecular Biology · 2024
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicSphingolipid Metabolism and Signaling
Canadian institutionsnot available
FundersMedical Research Council CanadaOntario Ministry of Economic Development and InnovationMedical Research CouncilEuropean Federation of Pharmaceutical Industries and AssociationsMinistero dello Sviluppo EconomicoMcGill UniversityDiamond Light SourceGenome CanadaWellcome TrustEuropean CommissionPfizer
KeywordsCeramideMechanism (biology)ATP synthaseCeramide synthaseChemistryCell biologySphingolipidBiochemistryBiologyEnzymeApoptosisPhysics

Abstract

fetched live from OpenAlex

Ceramides are bioactive sphingolipids crucial for regulating cellular metabolism. Ceramides and dihydroceramides are synthesized by six ceramide synthase (CerS) enzymes, each with specificity for different acyl-CoA substrates. Ceramide with a 16-carbon acyl chain (C16 ceramide) has been implicated in obesity, insulin resistance and liver disease and the C16 ceramide-synthesizing CerS6 is regarded as an attractive drug target for obesity-associated disease. Despite their importance, the molecular mechanism underlying ceramide synthesis by CerS enzymes remains poorly understood. Here we report cryo-electron microscopy structures of human CerS6, capturing covalent intermediate and product-bound states. These structures, along with biochemical characterization, reveal that CerS catalysis proceeds through a ping-pong reaction mechanism involving a covalent acyl-enzyme intermediate. Notably, the product-bound structure was obtained upon reaction with the mycotoxin fumonisin B1, yielding insights into its inhibition of CerS. These results provide a framework for understanding CerS function, selectivity and inhibition and open routes for future drug discovery.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.048
Threshold uncertainty score0.548

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.004
GPT teacher head0.276
Teacher spread0.271 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations15
Published2024
Admission routes1
Has abstractyes

Explore more

Same venueNature Structural & Molecular BiologySame topicSphingolipid Metabolism and SignalingFrench-language works237,207