scholarly journals Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR

PLoS Biology ◽  
2018 ◽  
Vol 16 (5) ◽  
pp. e2006192 ◽  
Author(s):  
Daniel Stöppler ◽  
Alex Macpherson ◽  
Susanne Smith-Penzel ◽  
Nicolas Basse ◽  
Fabien Lecomte ◽  
...  
Keyword(s):  
Small Molecule ◽  
Magic Angle Spinning ◽  
Fc Receptor ◽  
Magic Angle ◽  
Neonatal Fc Receptor ◽  
X Ray ◽  
X Ray Crystallography ◽  
Angle Spinning ◽  
Insight Into

scholarly journals Structural changes of TasA in biofilm formation ofBacillus subtilis

2018 ◽  
Vol 115 (13) ◽  
pp. 3237-3242 ◽  
Author(s):  
Anne Diehl ◽  
Yvette Roske ◽  
Linda Ball ◽  
Anup Chowdhury ◽  
Matthias Hiller ◽  
...  
Keyword(s):  
Structural Change ◽  
Structural Changes ◽  
Analytical Ultracentrifugation ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
X Ray ◽  
X Ray Crystallography ◽  
Angle Spinning

Microorganisms form surface-attached communities, termed biofilms, which can serve as protection against host immune reactions or antibiotics.Bacillus subtilisbiofilms contain TasA as major proteinaceous component in addition to exopolysaccharides. In stark contrast to the initially unfolded biofilm proteins of other bacteria, TasA is a soluble, stably folded monomer, whose structure we have determined by X-ray crystallography. Subsequently, we characterized in vitro different oligomeric forms of TasA by NMR, EM, X-ray diffraction, and analytical ultracentrifugation (AUC) experiments. However, by magic-angle spinning (MAS) NMR on live biofilms, a swift structural change toward only one of these forms, consisting of homogeneous and protease-resistant, β-sheet–rich fibrils, was observed in vivo. Thereby, we characterize a structural change from a globular state to a fibrillar form in a functional prokaryotic system on the molecular level.

scholarly journals Magic-angle spinning NMR spectroscopy provides insight into the impact of small molecule uptake by G-quartet hydrogels

2020 ◽  
Vol 1 (7) ◽  
pp. 2236-2247
Author(s):  
G. N. Manjunatha Reddy ◽  
Gretchen M. Peters ◽  
Ben P. Tatman ◽  
Teena S. Rajan ◽  
Si Min Kock ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Small Molecules ◽  
Small Molecule ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Local Structures ◽  
Angle Spinning ◽  
The Impact ◽  
Insight Into

Compositions, local structures and interactions of medicinally relevant small molecules added to G-quartet hydrogels are characterized using gel-state NMR spectroscopy.

A 13C and 15N nuclear magnetic resonance study of solid ammonium thiocyanate

1987 ◽  
Vol 65 (5) ◽  
pp. 941-946 ◽  
Author(s):  
Ross M. Dickson ◽  
Michael S. McKinnon ◽  
James F. Britten ◽  
Roderick E. Wasylishen
Keyword(s):  
Ammonium Thiocyanate ◽  
Nuclear Magnetic Resonance Study ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Chemical Shielding ◽  
X Ray ◽  
Shielding Constants ◽  
Angle Spinning ◽  
Good Agreement ◽  
C Nmr

The static 13C nmr powder pattern for solid ammonium thiocyanate is analyzed to obtain the 13C chemical shielding anisotropy, 321 ± 7 ppm, and the 13C–14N dipolar splitting, 1295 ± 25 Hz. Slow magic angle spinning 15N nmr experiments are analyzed to obtain a nitrogen chemical shielding anisotropy of 415 ± 15 ppm. The 13C–14N dipolar splitting leads to an effective C—N bond length of 1.19 ± 0.01 Å, in good agreement with the value of 1.176 Å reported from accurate X-ray and neutron crystallographic studies. In solid NH4NCS absolute values of the average shielding constants [Formula: see text] and ct[Formula: see text] are 52 and 34 ppm, respectively. Comparison of calculated and observed [Formula: see text] values indicates that intermolecular interactions decrease the 13C and 15N shielding constants by approximately 10 and 30 ppm, respectively.

Structural Properties of a Dimeric Phenylcyanamidocopper(I) Complex, [{Cu(PPh3)2(C6H5NCN)}2]

2000 ◽  
Vol 53 (12) ◽  
pp. 971 ◽  
Author(s):  
Eric W. Ainscough ◽  
Andrew M. Brodie ◽  
Peter C. Healy ◽  
Joyce M. Waters
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structural Properties ◽  
Structure Determination ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Cross Polarization ◽  
X Ray ◽  
Angle Spinning

The X-ray crystal structure determination of bis[-(phenylcyanamido)bis(triphenylphosphine)copper(I)], [{Cu(PPh3)2(C6H5NCN)}2], (1) is reported. The complex has a centrosymmetric dimeric structure with the phenylcyanamide ligands bridging the copper atoms in a -1,3-fashion. The structure is compared with that of the 4-methylphenylcyanamido complex, [{Cu(PPh3)2(4-MeC6H4NCN)}2] (2), and the differences observed in the Cu–P bond lengths compared with changes in the solid state 31P cross-polarization magic-angle spinning (CPMAS) spectra of the two complexes.

X-ray diffraction and solid-state 119Sn CP-MAS NMR studies of some triaryltin(IV) chlorides

2003 ◽  
Vol 81 (11) ◽  
pp. 1187-1195 ◽  
Author(s):  
Jordan M Geller ◽  
Ian S Butler ◽  
Denis FR Gilson ◽  
Frederick G Morin ◽  
Ivor Wharf ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Spin Coupling ◽  
Magic Angle ◽  
X Ray ◽  
Tin Chloride ◽  
Angle Spinning ◽  
Spin Spin Coupling

The solid-state 119Sn cross-polarization (CP) magic angle spinning (MAS) NMR spectra of a series of triaryltin chlorides of the form Ar3SnCl have been acquired. The indirect spin-spin coupling constants (J(119Sn-35Cl)), quadrupolar-dipolar shifts (d(119Sn-35Cl)), and the 119Sn chemical shift tensors were extracted. For the spectrum of triphenyltin chloride (I) the validity of the first-order perturbation approximation was tested by comparing results of both the perturbation and cubic-equation approaches and a variable-temperature NMR study undertaken to investigate the influence of the previously reported molecular motion in the solid. The X-ray crystal structures of the tris(o-tolyl)tin chloride (II) and tris(p-tolyl)tin chloride (IV) complexes have been examined. They belong to the monoclinic and triclinic space groups P21/n and P[Formula: see text], respectively, which are different from the previously reported tris(m-tolyl)tin chloride (III) complex, which crystallizes in the space group R3 and has threefold molecular symmetry. The structures and NMR properties of the complexes with meta-substituents are quite different from those with ortho- or para-substituents having axially symmetric shift tensors with small spans and larger J values.Key words: aryltin chlorides, magic angle spinning NMR, tin-chlorine spin-spin coupling, 119Sn chemical shift tensor, crystal structure.

Sign in / Sign up

Export Citation Format

Share Document