Intrinsically disordered proteins (IDPs) or intrinsically disordered regions (IDR) is a class of biologically important proteins exhibiting specific biophysical characteristics. They lack a hydrophobic core and their conformational behavior is strongly influenced by electrostatic interactions. IDPs and IDRs are highly dynamic and a characterization of the motions of IDPs and IDRs is essential for their physically correct description. Nuclear magnetic resonance (NMR) together with molecular...
[NMR paper] The Disordered EZH2 Loop: Atomic Level Characterization by 1HN- and 1H?-Detected NMR Approaches, Interaction with the Long Noncoding HOTAIR RNA
The Disordered EZH2 Loop: Atomic Level Characterization by 1HN- and 1H?-Detected NMR Approaches, Interaction with the Long Noncoding HOTAIR RNA
The 96-residue-long loop of EZH2 is proposed to play a role in the interaction with long non-coding RNAs (lncRNAs) and to contribute to EZH2 recruitment to the chromatin. However, molecular details of RNA recognition have not been described so far. Cellular studies have suggested that phosphorylation of the Thr345 residue localized in this loop influences RNA binding; however, no mechanistic explanation has been offered. To address these issues, a...
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[NMR paper] Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin
Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin
In this paper, we show that the combination of NMR theoretical and experimental results can help to solve the molecular structure of peptides, here it is used as an example the residue Leucine-67 in Desulfovibrio vulgaris flavodoxin. We apply a computational protocol based on the leucine amino acid dipeptide, which, using calculated and experimental spin-spin coupling constants, allows us to obtain the conformation of the...
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[NMR paper] Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin.
Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--academic.oup.com-images-oup_pubmed.png Related Articles Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin.
Brief Bioinform. 2021 Feb 11;:
Authors: San Fabián J, Omar S, García de la Vega JM
...
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[NMR paper] Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches.
Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches.
Related Articles Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches.
Biomedicines. 2020 Dec 30;9(1):
Authors: Sandomenico A, Di Rienzo L, Calvanese L, Iaccarino E, D'Auria G, Falcigno L, Chambery A, Russo R, Franzoso G, Tornatore L, D'Abramo M, Ruvo M, Milanetti E, Raimondo D
Abstract
GADD45?/MKK7 complex is a non-redundant, cancer cell-restricted survival module downstream...
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[NMR paper] Applications of NMR and computational methodologies to study protein dynamics.
Applications of NMR and computational methodologies to study protein dynamics.
Related Articles Applications of NMR and computational methodologies to study protein dynamics.
Arch Biochem Biophys. 2017 May 05;:
Authors: Narayanan C, Bafna K, Roux LD, Agarwal PK, Doucet N
Abstract
Overwhelming evidence now illustrates the defining role of atomic-scale protein flexibility in biological events such as allostery, cell signaling, and enzyme catalysis. Over the years, spin relaxation nuclear magnetic resonance (NMR) has provided...
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Protein dynamics from X-ray and NMR [Biophysics and Computational Biology]
Protein dynamics from X-ray and NMR
Fenwick, R. B., van den Bedem, H., Fraser, J. S., Wright, P. E....
Date: 2014-01-28
Detailed descriptions of atomic coordinates and motions are required for an understanding of protein dynamics and their relation to molecular recognition, catalytic function, and allostery. Historically, NMR relaxation measurements have played a dominant role in the determination of the amplitudes and timescales (picosecond–nanosecond) of bond vector fluctuations, whereas high-resolution X-ray... Read More
PNAS:
Number: 4
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Computational approaches to the interpretation of NMR data for studying protein dynamics
Computational approaches to the interpretation of NMR data for studying protein dynamics
2 March 2012
Publication year: 2012
Source:Chemical Physics, Volume 396</br>
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Experimental studies of protein structure and dynamics with NMR provide the classical example of the power of theoretical approaches for the interpretation of experimental results. In this paper we review recent developments in experimental techniques extending the applicability of NMR to the study of protein structure and motion, and advances in the theoretical description.
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02-03-2013 10:13 AM
An introduction to NMR-based approaches for measuring protein dynamics.
An introduction to NMR-based approaches for measuring protein dynamics.
An introduction to NMR-based approaches for measuring protein dynamics.
Biochim Biophys Acta. 2010 Nov 5;
Authors: Kleckner IR, Foster MP
Proteins are inherently flexible at ambient temperature. At equilibrium, they are characterized by a set of conformations that undergo continuous exchange within a hierarchy of spatial and temporal scales ranging from nanometers to micrometers and femtoseconds to hours. Dynamic properties of proteins are essential for describing the...
Convergent Views on Disordered Protein Dynamics From NMR and Computational Approaches
Linear Mode
