TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes
- Autores
- Jensen, Kamilla Kjærgaard; Rantos, Vasileios; Jappe, Emma Christine; Olsen, Tobias Hegelund; Jespersen, Martin Closter; Jurtz, Vanessa; Jessen, Leon Eyrich; Lanzarotti, Esteban Omar; Mahajan, Swapnil; Peters, Bjoern; Nielsen, Morten; Marcatili, Paolo
- Año de publicación
- 2019
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The interaction between the class I major histocompatibility complex (MHC), the peptide presented by the MHC and the T-cell receptor (TCR) is a key determinant of the cellular immune response. Here, we present TCRpMHCmodels, a method for accurate structural modelling of the TCR-peptide-MHC (TCR-pMHC) complex. This TCR-pMHC modelling pipeline takes as input the amino acid sequence and generates models of the TCR-pMHC complex, with a median Cα RMSD of 2.31 Å. TCRpMHCmodels significantly outperforms TCRFlexDock, a specialised method for docking pMHC and TCR structures. TCRpMHCmodels is simple to use and the modelling pipeline takes, on average, only two minutes. Thanks to its ease of use and high modelling accuracy, we expect TCRpMHCmodels to provide insights into the underlying mechanisms of TCR and pMHC interactions and aid in the development of advanced T-cell-based immunotherapies and rational design of vaccines. The TCRpMHCmodels tool is available at http://www.cbs.dtu.dk/services/TCRpMHCmodels/.
Fil: Jensen, Kamilla Kjærgaard. Technical University of Denmark; Dinamarca
Fil: Rantos, Vasileios. Technical University of Denmark; Dinamarca
Fil: Jappe, Emma Christine. Technical University of Denmark; Dinamarca
Fil: Olsen, Tobias Hegelund. Technical University of Denmark; Dinamarca
Fil: Jespersen, Martin Closter. Technical University of Denmark; Dinamarca
Fil: Jurtz, Vanessa. Technical University of Denmark; Dinamarca
Fil: Jessen, Leon Eyrich. Technical University of Denmark; Dinamarca
Fil: Lanzarotti, Esteban Omar. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; Argentina
Fil: Mahajan, Swapnil. La Jolla Institute for Allergy and Immunology; Estados Unidos
Fil: Peters, Bjoern. La Jolla Institute for Allergy and Immunology; Estados Unidos
Fil: Nielsen, Morten. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; Argentina. Technical University of Denmark; Dinamarca
Fil: Marcatili, Paolo. Technical University of Denmark; Dinamarca - Materia
-
TCR
MHC
Homology modeling - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/124582
Ver los metadatos del registro completo
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3498 |
network_name_str |
CONICET Digital (CONICET) |
spelling |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexesJensen, Kamilla KjærgaardRantos, VasileiosJappe, Emma ChristineOlsen, Tobias HegelundJespersen, Martin ClosterJurtz, VanessaJessen, Leon EyrichLanzarotti, Esteban OmarMahajan, SwapnilPeters, BjoernNielsen, MortenMarcatili, PaoloTCRMHCHomology modelinghttps://purl.org/becyt/ford/3.3https://purl.org/becyt/ford/3The interaction between the class I major histocompatibility complex (MHC), the peptide presented by the MHC and the T-cell receptor (TCR) is a key determinant of the cellular immune response. Here, we present TCRpMHCmodels, a method for accurate structural modelling of the TCR-peptide-MHC (TCR-pMHC) complex. This TCR-pMHC modelling pipeline takes as input the amino acid sequence and generates models of the TCR-pMHC complex, with a median Cα RMSD of 2.31 Å. TCRpMHCmodels significantly outperforms TCRFlexDock, a specialised method for docking pMHC and TCR structures. TCRpMHCmodels is simple to use and the modelling pipeline takes, on average, only two minutes. Thanks to its ease of use and high modelling accuracy, we expect TCRpMHCmodels to provide insights into the underlying mechanisms of TCR and pMHC interactions and aid in the development of advanced T-cell-based immunotherapies and rational design of vaccines. The TCRpMHCmodels tool is available at http://www.cbs.dtu.dk/services/TCRpMHCmodels/.Fil: Jensen, Kamilla Kjærgaard. Technical University of Denmark; DinamarcaFil: Rantos, Vasileios. Technical University of Denmark; DinamarcaFil: Jappe, Emma Christine. Technical University of Denmark; DinamarcaFil: Olsen, Tobias Hegelund. Technical University of Denmark; DinamarcaFil: Jespersen, Martin Closter. Technical University of Denmark; DinamarcaFil: Jurtz, Vanessa. Technical University of Denmark; DinamarcaFil: Jessen, Leon Eyrich. Technical University of Denmark; DinamarcaFil: Lanzarotti, Esteban Omar. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; ArgentinaFil: Mahajan, Swapnil. La Jolla Institute for Allergy and Immunology; Estados UnidosFil: Peters, Bjoern. La Jolla Institute for Allergy and Immunology; Estados UnidosFil: Nielsen, Morten. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; Argentina. Technical University of Denmark; DinamarcaFil: Marcatili, Paolo. Technical University of Denmark; DinamarcaNature Publishing Group2019-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/124582Jensen, Kamilla Kjærgaard; Rantos, Vasileios; Jappe, Emma Christine; Olsen, Tobias Hegelund; Jespersen, Martin Closter; et al.; TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes; Nature Publishing Group; Scientific Reports; 9; 1; 10-2019; 1-122045-2322CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.nature.com/articles/s41598-019-50932-4info:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-019-50932-4info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:46:35Zoai:ri.conicet.gov.ar:11336/124582instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:46:35.377CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
title |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
spellingShingle |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes Jensen, Kamilla Kjærgaard TCR MHC Homology modeling |
title_short |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
title_full |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
title_fullStr |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
title_full_unstemmed |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
title_sort |
TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes |
dc.creator.none.fl_str_mv |
Jensen, Kamilla Kjærgaard Rantos, Vasileios Jappe, Emma Christine Olsen, Tobias Hegelund Jespersen, Martin Closter Jurtz, Vanessa Jessen, Leon Eyrich Lanzarotti, Esteban Omar Mahajan, Swapnil Peters, Bjoern Nielsen, Morten Marcatili, Paolo |
author |
Jensen, Kamilla Kjærgaard |
author_facet |
Jensen, Kamilla Kjærgaard Rantos, Vasileios Jappe, Emma Christine Olsen, Tobias Hegelund Jespersen, Martin Closter Jurtz, Vanessa Jessen, Leon Eyrich Lanzarotti, Esteban Omar Mahajan, Swapnil Peters, Bjoern Nielsen, Morten Marcatili, Paolo |
author_role |
author |
author2 |
Rantos, Vasileios Jappe, Emma Christine Olsen, Tobias Hegelund Jespersen, Martin Closter Jurtz, Vanessa Jessen, Leon Eyrich Lanzarotti, Esteban Omar Mahajan, Swapnil Peters, Bjoern Nielsen, Morten Marcatili, Paolo |
author2_role |
author author author author author author author author author author author |
dc.subject.none.fl_str_mv |
TCR MHC Homology modeling |
topic |
TCR MHC Homology modeling |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/3.3 https://purl.org/becyt/ford/3 |
dc.description.none.fl_txt_mv |
The interaction between the class I major histocompatibility complex (MHC), the peptide presented by the MHC and the T-cell receptor (TCR) is a key determinant of the cellular immune response. Here, we present TCRpMHCmodels, a method for accurate structural modelling of the TCR-peptide-MHC (TCR-pMHC) complex. This TCR-pMHC modelling pipeline takes as input the amino acid sequence and generates models of the TCR-pMHC complex, with a median Cα RMSD of 2.31 Å. TCRpMHCmodels significantly outperforms TCRFlexDock, a specialised method for docking pMHC and TCR structures. TCRpMHCmodels is simple to use and the modelling pipeline takes, on average, only two minutes. Thanks to its ease of use and high modelling accuracy, we expect TCRpMHCmodels to provide insights into the underlying mechanisms of TCR and pMHC interactions and aid in the development of advanced T-cell-based immunotherapies and rational design of vaccines. The TCRpMHCmodels tool is available at http://www.cbs.dtu.dk/services/TCRpMHCmodels/. Fil: Jensen, Kamilla Kjærgaard. Technical University of Denmark; Dinamarca Fil: Rantos, Vasileios. Technical University of Denmark; Dinamarca Fil: Jappe, Emma Christine. Technical University of Denmark; Dinamarca Fil: Olsen, Tobias Hegelund. Technical University of Denmark; Dinamarca Fil: Jespersen, Martin Closter. Technical University of Denmark; Dinamarca Fil: Jurtz, Vanessa. Technical University of Denmark; Dinamarca Fil: Jessen, Leon Eyrich. Technical University of Denmark; Dinamarca Fil: Lanzarotti, Esteban Omar. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; Argentina Fil: Mahajan, Swapnil. La Jolla Institute for Allergy and Immunology; Estados Unidos Fil: Peters, Bjoern. La Jolla Institute for Allergy and Immunology; Estados Unidos Fil: Nielsen, Morten. Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. - Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Biotecnológicas; Argentina. Technical University of Denmark; Dinamarca Fil: Marcatili, Paolo. Technical University of Denmark; Dinamarca |
description |
The interaction between the class I major histocompatibility complex (MHC), the peptide presented by the MHC and the T-cell receptor (TCR) is a key determinant of the cellular immune response. Here, we present TCRpMHCmodels, a method for accurate structural modelling of the TCR-peptide-MHC (TCR-pMHC) complex. This TCR-pMHC modelling pipeline takes as input the amino acid sequence and generates models of the TCR-pMHC complex, with a median Cα RMSD of 2.31 Å. TCRpMHCmodels significantly outperforms TCRFlexDock, a specialised method for docking pMHC and TCR structures. TCRpMHCmodels is simple to use and the modelling pipeline takes, on average, only two minutes. Thanks to its ease of use and high modelling accuracy, we expect TCRpMHCmodels to provide insights into the underlying mechanisms of TCR and pMHC interactions and aid in the development of advanced T-cell-based immunotherapies and rational design of vaccines. The TCRpMHCmodels tool is available at http://www.cbs.dtu.dk/services/TCRpMHCmodels/. |
publishDate |
2019 |
dc.date.none.fl_str_mv |
2019-10 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/124582 Jensen, Kamilla Kjærgaard; Rantos, Vasileios; Jappe, Emma Christine; Olsen, Tobias Hegelund; Jespersen, Martin Closter; et al.; TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes; Nature Publishing Group; Scientific Reports; 9; 1; 10-2019; 1-12 2045-2322 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/124582 |
identifier_str_mv |
Jensen, Kamilla Kjærgaard; Rantos, Vasileios; Jappe, Emma Christine; Olsen, Tobias Hegelund; Jespersen, Martin Closter; et al.; TCRpMHCmodels: Structural modelling of TCR-pMHC class I complexes; Nature Publishing Group; Scientific Reports; 9; 1; 10-2019; 1-12 2045-2322 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://www.nature.com/articles/s41598-019-50932-4 info:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-019-50932-4 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Nature Publishing Group |
publisher.none.fl_str_mv |
Nature Publishing Group |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1842268804629921792 |
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13.13397 |