Cargando…

Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra

Automated methods for NMR structure determination of proteins are continuously becoming more robust. However, current methods addressing larger, more complex targets rely on analyzing 6–10 complementary spectra, suggesting the need for alternative approaches. Here, we describe 4D-CHAINS/autoNOE-Rose...

Descripción completa

Detalles Bibliográficos
Autores principales:	Evangelidis, Thomas, Nerli, Santrupti, Nováček, Jiří, Brereton, Andrew E., Karplus, P. Andrew, Dotas, Rochelle R., Venditti, Vincenzo, Sgourakis, Nikolaos G., Tripsianes, Konstantinos
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5786013/ https://www.ncbi.nlm.nih.gov/pubmed/29374165 http://dx.doi.org/10.1038/s41467-017-02592-z

Ejemplares similares

Backbone-independent NMR resonance assignments of methyl probes in large proteins
por: Nerli, Santrupti, et al.
Publicado: (2021)

De novo design of a non-local β-sheet protein with high stability and accuracy
por: Marcos, Enrique, et al.
Publicado: (2018)

Structure-Based Modeling of SARS-CoV-2 Peptide/HLA-A02 Antigens
por: Nerli, Santrupti, et al.
Publicado: (2020)

HLA3DB: comprehensive annotation of peptide/HLA complexes enables blind structure prediction of T cell epitopes
por: Gupta, Sagar, et al.
Publicado: (2023)

Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch
por: De Paula, Viviane S., et al.
Publicado: (2020)

Automated Resonance Assignment of Proteins: 6 DAPSY-NMR
por: Fiorito, Francesco, et al.
Publicado: (2006)

Global protein dynamics as communication sensors in peptide synthetase domains
por: Mishra, Subrata H., et al.
Publicado: (2022)

Strategy for complete NMR assignment of disordered proteins with highly repetitive sequences based on resolution-enhanced 5D experiments
por: Motáčková, Veronika, et al.
Publicado: (2010)

Facilitated Assignment of Large Protein NMR Signals with Covariance Sequential Spectra Using Spectral Derivatives
por: Harden, Bradley J., et al.
Publicado: (2014)

Microstructure of Copolymers of Norbornene Based on Assignments of (13)C NMR Spectra: Evolution of a Methodology
por: Boggioni, Laura, et al.
Publicado: (2018)

Unambiguous Assignment of the (1)H- and (13)C-NMR Spectra of Propafenone and a Thiophene Analogue
por: Holzer, Wolfgang
Publicado: (2001)

Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA
por: Klukowski, Piotr, et al.
Publicado: (2022)

NMRtist: an online platform for automated biomolecular NMR spectra analysis
por: Klukowski, Piotr, et al.
Publicado: (2023)

An order-to-disorder structural switch activates the FoxM1 transcription factor
por: Marceau, Aimee H, et al.
Publicado: (2019)

Univariate Statistical Analysis as a Guide to (1)H-NMR Spectra Signal Assignment by Visual Inspection
por: Zhu, Chenglin, et al.
Publicado: (2019)

Assigning NMR spectra of RNA, peptides and small organic molecules using molecular network visualization software
por: Marchant, Jan, et al.
Publicado: (2019)

Automated and assisted RNA resonance assignment using NMR chemical shift statistics
por: Aeschbacher, Thomas, et al.
Publicado: (2013)

Automated protein resonance assignments of magic angle spinning solid-state NMR spectra of β1 immunoglobulin binding domain of protein G (GB1)
por: Moseley, Hunter N. B., et al.
Publicado: (2010)

A framework for automated structure elucidation from routine NMR spectra
por: Huang, Zhaorui, et al.
Publicado: (2021)

Native proteins trap high-energy transit conformations
por: Brereton, Andrew E., et al.
Publicado: (2015)

ANSIG: A program for the assignment of protein (1)H 2D NMR spectra by interactive computer graphics
por: Kraulis, Per J
Publicado: (1989)

Computational design of closely related proteins that adopt two well-defined but structurally divergent folds
por: Wei, Kathy Y., et al.
Publicado: (2020)

A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations
por: Toor, Jugmohit S., et al.
Publicado: (2018)

Minimizing Pervasive Artifacts in 4D Covariance Maps for Protein Side Chain NMR Assignments
por: Kancherla, Aswani K., et al.
Publicado: (2021)

Selective isotope labeling for NMR structure determination of proteins in complex with unlabeled ligands
por: Tripsianes, Konstantinos, et al.
Publicado: (2019)

PINE-SPARKY: graphical interface for evaluating automated probabilistic peak assignments in protein NMR spectroscopy
por: Lee, Woonghee, et al.
Publicado: (2009)

Contact replacement for NMR resonance assignment
por: Xiong, Fei, et al.
Publicado: (2008)

Complete Assignment of the (1)H and (13)C NMR Spectra of Carthamin Potassium Salt Isolated from Carthamus tinctorius L.
por: Sasaki, Maiko, et al.
Publicado: (2021)

Complete assignment of the vibrational spectra of borazine: the inorganic benzene
por: Parker, Stewart F.
Publicado: (2018)

Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing
por: Bishop, Anthony C., et al.
Publicado: (2023)

NMR--from spectra to structures : an experimental approach /
por: Mitchell, Terence N.
Publicado: (2004)

Structure of high-resolution NMR spectra
por: Corio, PL
Publicado: (2012)

Bayesian Peak Picking for NMR Spectra
por: Cheng, Yichen, et al.
Publicado: (2014)

Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from (15)N-NOESY
por: Jang, Richard, et al.
Publicado: (2012)

CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis
por: Skinner, Simon P., et al.
Publicado: (2016)

Complete protein assignment from sets of spectra recorded overnight
por: Fredriksson, Jonas, et al.
Publicado: (2019)

MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
por: Xia, Jianguo, et al.
Publicado: (2008)

R Shiny App for the Automated Deconvolution of NMR Spectra to Quantify the Solid-State Forms of Pharmaceutical Mixtures
por: Prostko, Piotr, et al.
Publicado: (2022)

SPA-STOCSY: An Automated Tool for Identification of Annotated and Non-Annotated Metabolites in High-Throughput NMR Spectra
por: Han, Xu, et al.
Publicado: (2023)

SPA-STOCSY: an automated tool for identifying annotated and non-annotated metabolites in high-throughput NMR spectra
por: Han, Xu, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_idea3pog4qd7kqjt8ioie76o28