Target highlights in CASP14: Analysis of models by structure providers

Leila T. Alexander; Rosalba Lepore; Andriy Kryshtafovych; Athanassios Adamopoulos; Markus Alahuhta; Ann M. Arvin; Yannick J. Bomble; Bettina Böttcher; Cécile Breyton; Valerio Chiarini; Naga babu Chinnam; Wah Chiu; Krzysztof Fidelis; Rhys Grinter; Gagan D. Gupta; Marcus D. Hartmann; Christopher S. Hayes; Tatjana Heidebrecht; Andrea Ilari; Andrzej Joachimiak; Youngchang Kim; Romain Linares; Andrew L. Lovering; Vladimir V. Lunin; Andrei N. Lupas; Cihan Makbul; Karolina Michalska; John Moult; Prasun K. Mukherjee; William Nutt; Stefan L. Oliver; Anastassis Perrakis; Lucy Stols; John A. Tainer; Maya Topf; Susan E. Tsutakawa; Mauricio Valdivia-Delgado; Torsten Schwede

doi:10.1002/prot.26247

Target highlights in CASP14: Analysis of models by structure providers

Leila T. Alexander, Rosalba Lepore, Andriy Kryshtafovych, Athanassios Adamopoulos, Markus Alahuhta, Ann M. Arvin, Yannick J. Bomble, Bettina Böttcher, Cécile Breyton, Valerio Chiarini, Naga babu Chinnam, Wah Chiu, Krzysztof Fidelis, Rhys Grinter, Gagan D. Gupta, Marcus D. Hartmann, Christopher S. Hayes, Tatjana Heidebrecht, Andrea Ilari, Andrzej JoachimiakYoungchang Kim, Romain Linares, Andrew L. Lovering, Vladimir V. Lunin, Andrei N. Lupas, Cihan Makbul, Karolina Michalska, John Moult, Prasun K. Mukherjee, William Nutt, Stefan L. Oliver, Anastassis Perrakis, Lucy Stols, John A. Tainer, Maya Topf, Susan E. Tsutakawa, Mauricio Valdivia-Delgado, Torsten Schwede

Molecular & Cellular Oncology

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

The biological and functional significance of selected Critical Assessment of Techniques for Protein Structure Prediction 14 (CASP14) targets are described by the authors of the structures. The authors highlight the most relevant features of the target proteins and discuss how well these features were reproduced in the respective submitted predictions. The overall ability to predict three-dimensional structures of proteins has improved remarkably in CASP14, and many difficult targets were modeled with impressive accuracy. For the first time in the history of CASP, the experimentalists not only highlighted that computational models can accurately reproduce the most critical structural features observed in their targets, but also envisaged that models could serve as a guidance for further studies of biologically-relevant properties of proteins.

Original language	English (US)
Pages (from-to)	1647-1672
Number of pages	26
Journal	Proteins: Structure, Function and Bioinformatics
Volume	89
Issue number	12
DOIs	https://doi.org/10.1002/prot.26247
State	Published - Dec 2021

Keywords

CASP
X-ray crystallography
community-wide experiment
cryo-EM
protein structure prediction

ASJC Scopus subject areas

Structural Biology
Biochemistry
Molecular Biology

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10.1002/prot.26247

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Alexander, L. T., Lepore, R., Kryshtafovych, A., Adamopoulos, A., Alahuhta, M., Arvin, A. M., Bomble, Y. J., Böttcher, B., Breyton, C., Chiarini, V., Chinnam, N. B., Chiu, W., Fidelis, K., Grinter, R., Gupta, G. D., Hartmann, M. D., Hayes, C. S., Heidebrecht, T., Ilari, A., ... Schwede, T. (2021). Target highlights in CASP14: Analysis of models by structure providers. Proteins: Structure, Function and Bioinformatics, 89(12), 1647-1672. https://doi.org/10.1002/prot.26247

Alexander, LT, Lepore, R, Kryshtafovych, A, Adamopoulos, A, Alahuhta, M, Arvin, AM, Bomble, YJ, Böttcher, B, Breyton, C, Chiarini, V, Chinnam, NB, Chiu, W, Fidelis, K, Grinter, R, Gupta, GD, Hartmann, MD, Hayes, CS, Heidebrecht, T, Ilari, A, Joachimiak, A, Kim, Y, Linares, R, Lovering, AL, Lunin, VV, Lupas, AN, Makbul, C, Michalska, K, Moult, J, Mukherjee, PK, Nutt, W, Oliver, SL, Perrakis, A, Stols, L, Tainer, JA, Topf, M, Tsutakawa, SE, Valdivia-Delgado, M & Schwede, T 2021, 'Target highlights in CASP14: Analysis of models by structure providers', Proteins: Structure, Function and Bioinformatics, vol. 89, no. 12, pp. 1647-1672. https://doi.org/10.1002/prot.26247

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title = "Target highlights in CASP14: Analysis of models by structure providers",

abstract = "The biological and functional significance of selected Critical Assessment of Techniques for Protein Structure Prediction 14 (CASP14) targets are described by the authors of the structures. The authors highlight the most relevant features of the target proteins and discuss how well these features were reproduced in the respective submitted predictions. The overall ability to predict three-dimensional structures of proteins has improved remarkably in CASP14, and many difficult targets were modeled with impressive accuracy. For the first time in the history of CASP, the experimentalists not only highlighted that computational models can accurately reproduce the most critical structural features observed in their targets, but also envisaged that models could serve as a guidance for further studies of biologically-relevant properties of proteins.",

keywords = "CASP, X-ray crystallography, community-wide experiment, cryo-EM, protein structure prediction",

author = "Alexander, {Leila T.} and Rosalba Lepore and Andriy Kryshtafovych and Athanassios Adamopoulos and Markus Alahuhta and Arvin, {Ann M.} and Bomble, {Yannick J.} and Bettina B{\"o}ttcher and C{\'e}cile Breyton and Valerio Chiarini and Chinnam, {Naga babu} and Wah Chiu and Krzysztof Fidelis and Rhys Grinter and Gupta, {Gagan D.} and Hartmann, {Marcus D.} and Hayes, {Christopher S.} and Tatjana Heidebrecht and Andrea Ilari and Andrzej Joachimiak and Youngchang Kim and Romain Linares and Lovering, {Andrew L.} and Lunin, {Vladimir V.} and Lupas, {Andrei N.} and Cihan Makbul and Karolina Michalska and John Moult and Mukherjee, {Prasun K.} and William Nutt and Oliver, {Stefan L.} and Anastassis Perrakis and Lucy Stols and Tainer, {John A.} and Maya Topf and Tsutakawa, {Susan E.} and Mauricio Valdivia-Delgado and Torsten Schwede",

note = "Publisher Copyright: {\textcopyright} 2021 The Authors. Proteins: Structure, Function, and Bioinformatics published by Wiley Periodicals LLC.",

year = "2021",

month = dec,

doi = "10.1002/prot.26247",

language = "English (US)",

volume = "89",

pages = "1647--1672",

journal = "Proteins: Structure, Function and Bioinformatics",

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T1 - Target highlights in CASP14

T2 - Analysis of models by structure providers

AU - Alexander, Leila T.

AU - Lepore, Rosalba

AU - Kryshtafovych, Andriy

AU - Adamopoulos, Athanassios

AU - Alahuhta, Markus

AU - Arvin, Ann M.

AU - Bomble, Yannick J.

AU - Böttcher, Bettina

AU - Breyton, Cécile

AU - Chiarini, Valerio

AU - Chinnam, Naga babu

AU - Chiu, Wah

AU - Fidelis, Krzysztof

AU - Grinter, Rhys

AU - Gupta, Gagan D.

AU - Hartmann, Marcus D.

AU - Hayes, Christopher S.

AU - Heidebrecht, Tatjana

AU - Ilari, Andrea

AU - Joachimiak, Andrzej

AU - Kim, Youngchang

AU - Linares, Romain

AU - Lovering, Andrew L.

AU - Lunin, Vladimir V.

AU - Lupas, Andrei N.

AU - Makbul, Cihan

AU - Michalska, Karolina

AU - Moult, John

AU - Mukherjee, Prasun K.

AU - Nutt, William

AU - Oliver, Stefan L.

AU - Perrakis, Anastassis

AU - Stols, Lucy

AU - Tainer, John A.

AU - Topf, Maya

AU - Tsutakawa, Susan E.

AU - Valdivia-Delgado, Mauricio

AU - Schwede, Torsten

PY - 2021/12

Y1 - 2021/12

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AB - The biological and functional significance of selected Critical Assessment of Techniques for Protein Structure Prediction 14 (CASP14) targets are described by the authors of the structures. The authors highlight the most relevant features of the target proteins and discuss how well these features were reproduced in the respective submitted predictions. The overall ability to predict three-dimensional structures of proteins has improved remarkably in CASP14, and many difficult targets were modeled with impressive accuracy. For the first time in the history of CASP, the experimentalists not only highlighted that computational models can accurately reproduce the most critical structural features observed in their targets, but also envisaged that models could serve as a guidance for further studies of biologically-relevant properties of proteins.

KW - CASP

KW - X-ray crystallography

KW - community-wide experiment

KW - cryo-EM

KW - protein structure prediction

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JF - Proteins: Structure, Function and Bioinformatics

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ER -

Target highlights in CASP14: Analysis of models by structure providers

Abstract

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ASJC Scopus subject areas

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