Integrative structural modelling and visualisation of a cellular organelle

Models of insulin secretory vesicles from pancreatic beta cells have been created using the cellPACK suite of tools to research, curate, construct and visualise the current state of knowledge. The model integrates experimental information from proteomics, structural biology, cryoelectron microscopy...

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Main Authors: Ludovic Autin, Brett A. Barbaro, Andrew I. Jewett, Axel Ekman, Shruti Verma, Arthur J. Olson, David S. Goodsell
Format: Article
Language:English
Published: Cambridge University Press 2022-01-01
Series:QRB Discovery
Subjects:
Online Access:https://www.cambridge.org/core/product/identifier/S2633289222000102/type/journal_article
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author Ludovic Autin
Brett A. Barbaro
Andrew I. Jewett
Axel Ekman
Shruti Verma
Arthur J. Olson
David S. Goodsell
author_facet Ludovic Autin
Brett A. Barbaro
Andrew I. Jewett
Axel Ekman
Shruti Verma
Arthur J. Olson
David S. Goodsell
author_sort Ludovic Autin
collection DOAJ
description Models of insulin secretory vesicles from pancreatic beta cells have been created using the cellPACK suite of tools to research, curate, construct and visualise the current state of knowledge. The model integrates experimental information from proteomics, structural biology, cryoelectron microscopy and X-ray tomography, and is used to generate models of mature and immature vesicles. A new method was developed to generate a confidence score that reconciles inconsistencies between three available proteomes using expert annotations of cellular localisation. The models are used to simulate soft X-ray tomograms, allowing quantification of features that are observed in experimental tomograms, and in turn, allowing interpretation of X-ray tomograms at the molecular level.
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spelling doaj.art-b4a4b94ef2a247e4b65ec7d554c429622023-03-09T12:43:36ZengCambridge University PressQRB Discovery2633-28922022-01-01310.1017/qrd.2022.10Integrative structural modelling and visualisation of a cellular organelleLudovic Autin0https://orcid.org/0000-0002-2197-191XBrett A. Barbaro1https://orcid.org/0000-0003-2156-7877Andrew I. Jewett2https://orcid.org/0000-0001-9861-3048Axel Ekman3https://orcid.org/0000-0002-4210-2617Shruti Verma4https://orcid.org/0000-0002-0929-2973Arthur J. Olson5https://orcid.org/0000-0003-0558-4618David S. Goodsell6https://orcid.org/0000-0002-5932-2130Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USADepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USADepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USADepartment of Anatomy, University of California, San Francisco, San Francisco, CA 94143, USADepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USADepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USADepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USA Research Collaboratory for Structural Bioinformatics Protein Data Bank, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USAModels of insulin secretory vesicles from pancreatic beta cells have been created using the cellPACK suite of tools to research, curate, construct and visualise the current state of knowledge. The model integrates experimental information from proteomics, structural biology, cryoelectron microscopy and X-ray tomography, and is used to generate models of mature and immature vesicles. A new method was developed to generate a confidence score that reconciles inconsistencies between three available proteomes using expert annotations of cellular localisation. The models are used to simulate soft X-ray tomograms, allowing quantification of features that are observed in experimental tomograms, and in turn, allowing interpretation of X-ray tomograms at the molecular level.https://www.cambridge.org/core/product/identifier/S2633289222000102/type/journal_articleInsulin secretory granuleintegrative mesoscale modellingpancreatic beta cellstructural biology
spellingShingle Ludovic Autin
Brett A. Barbaro
Andrew I. Jewett
Axel Ekman
Shruti Verma
Arthur J. Olson
David S. Goodsell
Integrative structural modelling and visualisation of a cellular organelle
QRB Discovery
Insulin secretory granule
integrative mesoscale modelling
pancreatic beta cell
structural biology
title Integrative structural modelling and visualisation of a cellular organelle
title_full Integrative structural modelling and visualisation of a cellular organelle
title_fullStr Integrative structural modelling and visualisation of a cellular organelle
title_full_unstemmed Integrative structural modelling and visualisation of a cellular organelle
title_short Integrative structural modelling and visualisation of a cellular organelle
title_sort integrative structural modelling and visualisation of a cellular organelle
topic Insulin secretory granule
integrative mesoscale modelling
pancreatic beta cell
structural biology
url https://www.cambridge.org/core/product/identifier/S2633289222000102/type/journal_article
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