[NMR paper] "Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
"Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
ChemistryOpen. 2016 Aug;5(4):274-96
Authors: Marchetti R, Perez S, Arda A, Imberty A, Jimenez-Barbero J, Silipo A, Molinaro A
Abstract
Understanding the dynamics of protein-ligand interactions, which lie at the heart of host-pathogen recognition, represents a crucial step to clarify the molecular determinants implicated in binding events, as well as to optimize the design of new molecules with therapeutic aims. Over the last decade, advances in complementary biophysical and spectroscopic methods permitted us to deeply dissect the fine structural details of biologically relevant molecular recognition processes with high resolution. This Review focuses on the development and use of modern nuclear magnetic resonance (NMR) techniques to dissect binding events. These spectroscopic methods, complementing X-ray crystallography and molecular modeling methodologies, will be taken into account as indispensable tools to provide a complete picture of protein-glycoconjugate binding mechanisms related to biomedicine applications against infectious diseases.
[NMR paper] Modeling an in-register, parallel "iowa" a? fibril structure using solid-state NMR data from labeled samples with rosetta.
Modeling an in-register, parallel "iowa" a? fibril structure using solid-state NMR data from labeled samples with rosetta.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-cellhub.gif Related Articles Modeling an in-register, parallel "iowa" a? fibril structure using solid-state NMR data from labeled samples with rosetta.
Structure. 2015 Jan 6;23(1):216-27
Authors: Sgourakis NG, Yau WM, Qiang W
Abstract
Determining the structures of amyloid fibrils is an important...
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[NMR paper] "Invisible" Conformers of an Antifungal Disulfide Protein Revealed by Constrained Cold and Heat Unfolding, CEST-NMR Experiments, and Molecular Dynamics Calculations.
"Invisible" Conformers of an Antifungal Disulfide Protein Revealed by Constrained Cold and Heat Unfolding, CEST-NMR Experiments, and Molecular Dynamics Calculations.
Related Articles "Invisible" Conformers of an Antifungal Disulfide Protein Revealed by Constrained Cold and Heat Unfolding, CEST-NMR Experiments, and Molecular Dynamics Calculations.
Chemistry. 2015 Feb 12;
Authors: Fizil Á, Gáspári Z, Barna T, Marx F, Batta G
Abstract
Transition between conformational states in proteins is being recognized as a possible key factor...
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02-14-2015 03:52 PM
[NMR paper] Interactions of bacterial cell division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective.
Interactions of bacterial cell division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective.
Interactions of bacterial cell division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective.
J Am Chem Soc. 2013 Sep 30;
Authors: Marcelo F, Huecas S, Ruiz-Avila LB, Cañada FJ, Perona A, Poveda A, Martin-Santamaria S, Morreale A, Jimenez-Barbero J, Andreu JM
Abstract
FtsZ is the key protein of...
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10-02-2013 11:18 AM
[NMR900 blog] CSC 2013 symposium - "Halogen Bonding and other Non-Covalent Interactions"
CSC 2013 symposium - "Halogen Bonding and other Non-Covalent Interactions"
David Bryce (Ottawa) and Mark Taylor (Toronto) are organizing a symposium on "Halogen Bonding and other Non-Covalent Interactions" to be held as part of the Canadian Chemistry Conference in Quebec City, May 26-30, 2013. International experts including Prof. Pierangelo Metrangolo (Milan, Italy), Prof. Giuseppe Resnati (Milan, Italy), Prof. P. Shing Ho (Colorado State, USA), and Prof. Duncan Bruce (York, UK) have already agreed to give oral presentations at the meeting. Although this is not an NMR-focussed symposium,...
[NMR paper] DNA-XPA interactions: a (31)P NMR and molecular modeling study of dCCAATAACC associat
DNA-XPA interactions: a (31)P NMR and molecular modeling study of dCCAATAACC association with the minimal DNA-binding domain (M98-F219) of the nucleotide excision repair protein XPA.
Related Articles DNA-XPA interactions: a (31)P NMR and molecular modeling study of dCCAATAACC association with the minimal DNA-binding domain (M98-F219) of the nucleotide excision repair protein XPA.
Nucleic Acids Res. 2001 Jun 15;29(12):2635-43
Authors: Buchko GW, Tung CS, McAteer K, Isern NG, Spicer LD, Kennedy MA
Recent NMR-based, chemical shift mapping...
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[NMR paper] Does NMR mean "not for molecular replacement"? Using NMR-based search models to solve
Does NMR mean "not for molecular replacement"? Using NMR-based search models to solve protein crystal structures.
Related Articles Does NMR mean "not for molecular replacement"? Using NMR-based search models to solve protein crystal structures.
Structure. 2000 Nov 15;8(11):R213-20
Authors: Chen YW, Dodson EJ, Kleywegt GJ
"Rules of Engagement" of Protein-Glycoconjugate Interactions: A Molecular View Achievable by using NMR Spectroscopy and Molecular Modeling.
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