Related ArticlesMolecular Modelling of Biomolecules by Paramagnetic NMR and Computational Hybrid Methods.
Biochim Biophys Acta. 2017 Jun 22;:
Authors: Pilla KB, Gaalswyk K, MacCallum JL
Abstract
The 3D atomic structures of biomolecules and their complexes are key to our understanding of biomolecular function, recognition, and mechanism. However, it is often difficult to obtain structures, particularly for systems that are complex, dynamic, disordered, or exist in environments like cell membranes. In such cases sparse data from a variety of paramagnetic NMR experiments offers one possible source of structural information. These restraints can be incorporated in computer modelling algorithms that can accurately translate the sparse experimental data into full 3D atomic structures. In this review, we discuss various types of paramagnetic NMR/computational hybrid modelling techniques that can applied to successful modeling of not only the atomic structure of proteins but also their interacting partners.
PMID: 28648524 [PubMed - as supplied by publisher]
[NMR paper] STD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC-SIGN.
STD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC-SIGN.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles STD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC-SIGN.
Org Biomol Chem. 2016 Jan 21;14(3):862-75
Authors: Kotar A, Tomaši? T, Lenar?i? Živkovi? M, Jug G, Plavec J, Anderluh M
Abstract
Study of interaction of mannose-based ligands with receptor...
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[NMR paper] 3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles 3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
Org Biomol Chem. 2013 Dec 21;11(47):8269-75
Authors: Muñoz-García JC, Solera C, Carrero P, de Paz JL, Angulo J, Nieto PM
Abstract
The motional behaviour of heparin oligosaccharides in solution is...
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07-06-2014 08:28 PM
[Question from NMRWiki Q&A forum] 1-2 yrs funding to complete Ph.D. in Chemistry (Ionophores NMR Molecular Modelling)
1-2 yrs funding to complete Ph.D. in Chemistry (Ionophores NMR Molecular Modelling)
Looking for 1-2 yrs funding to complete my Ph.D. in Chemistry. Thesis: 'A Study of Conformational Analysis and Molecular Dynamics by NMR' (University of St. Andrews 1999-2003 Dr. F.G. Riddell)
i. F.G. Riddell, Review: Structure, Conformation, and Mechanism in the Membrane Transport of Alkali Metal Ions by Ionophoric Antibiotics; Chirality, 2002, 14 (2-3), 121 (Cited: 44) ii. T. Matinek, F.G. Riddell, C. F. Wilson, The Conformations of Narasin Alkali Metal Complexes in Solution Determined by NMR...
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12-19-2013 05:34 AM
Structural topology of phospholamban pentamer in lipid bilayers by a hybrid solution and solid-state NMR method [Biophysics and Computational Biology]
Structural topology of phospholamban pentamer in lipid bilayers by a hybrid solution and solid-state NMR method
Verardi, R., Shi, L., Traaseth, N. J., Walsh, N., Veglia, G....
Date: 2011-05-31
Phospholamban (PLN) is a type II membrane protein that inhibits the sarcoplasmic reticulum Ca2+-ATPase (SERCA), thereby regulating calcium homeostasis in cardiac muscle. In membranes, PLN forms pentamers that have been proposed to function either as a storage for active monomers or as ion channels. Here, we report the T-state structure of pentameric PLN solved by a hybrid solution and...
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05-31-2011 11:41 PM
Methods to determine slow diffusion coefficients of biomolecules. Applications to Engrailed 2, a partially disordered protein
Methods to determine slow diffusion coefficients of biomolecules. Applications to Engrailed 2, a partially disordered protein
Abstract We present new NMR methods to measure slow translational diffusion coefficients of biomolecules. Like the heteronuclear stimulated echo experiment (XSTE), these new methods rely on the storage of information about spatial localization during the diffusion delay as longitudinal polarization of nuclei with long T1 such as nitrogen-15. The new BEST-XSTE sequence combines features of Band-selective Excitation Short-Transient (BEST) and XSTE methods. By...
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05-24-2011 10:00 AM
[NMR paper] Practical methods for solid-state NMR distance measurements on large biomolecules: co
Practical methods for solid-state NMR distance measurements on large biomolecules: constant-time rotational resonance.
Related Articles Practical methods for solid-state NMR distance measurements on large biomolecules: constant-time rotational resonance.
J Magn Reson. 1999 Aug;139(2):371-6
Authors: Balazs YS, Thompson LK
Simple modifications of the rotational resonance experiment substantially reduce the total experimental time needed to measure weak homonuclear dipolar couplings, a critical factor for achieving routine internuclear distance...
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11-18-2010 08:31 PM
Structural NMR of Protein Oligomers using Hybrid Methods.
Structural NMR of Protein Oligomers using Hybrid Methods.
Related Articles Structural NMR of Protein Oligomers using Hybrid Methods.
J Struct Biol. 2010 Nov 10;
Authors: Wang X, Lee HW, Liu Y, Prestegard JH
Solving structures of native oligomeric protein complexes using traditional high resolution NMR techniques remains challenging. However, increased utilization of computational platforms, and integration of information from less traditional NMR techniques with data from other complementary biophysical methods, promises to extend the boundary of...
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11-16-2010 04:13 PM
[NMR paper] 1H and 13C NMR assignments and molecular modelling of a minor groove DNA-binding pept
1H and 13C NMR assignments and molecular modelling of a minor groove DNA-binding peptide from the HMG-I protein.
Related Articles 1H and 13C NMR assignments and molecular modelling of a minor groove DNA-binding peptide from the HMG-I protein.
Int J Pept Protein Res. 1995 Jun;45(6):554-60
Authors: Evans JN, Zajicek J, Nissen MS, Munske G, Smith V, Reeves R
The HMG-I subfamily of high mobility group (HMG) chromatin proteins consists of DNA-binding proteins that preferentially bind to stretches of A.T-rich sequence both in vitro and in vivo....
Molecular Modelling of Biomolecules by Paramagnetic NMR and Computational Hybrid Methods.
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