1H-Detected Biomolecular NMR under Fast Magic-Angle Spinning

T Le Marchand, T Schubeis, M Bonaccorsi… - Chemical …, 2022 - ACS Publications
Since the first pioneering studies on small deuterated peptides dating more than 20 years
ago, 1H detection has evolved into the most efficient approach for investigation of …

[HTML][HTML] Paramagnetic NMR in solution and the solid state

AJ Pell, G Pintacuda, CP Grey - Progress in nuclear magnetic resonance …, 2019 - Elsevier
The field of paramagnetic NMR has expanded considerably in recent years. This review
addresses both the theoretical description of paramagnetic NMR, and the way in which it is …

Paramagnetic chemical probes for studying biological macromolecules

Q Miao, C Nitsche, H Orton, M Overhand… - Chemical …, 2022 - ACS Publications
Paramagnetic chemical probes have been used in electron paramagnetic resonance (EPR)
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …

NMR crystallography of molecular organics

P Hodgkinson - Progress in Nuclear Magnetic Resonance …, 2020 - Elsevier
Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …

Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate

JB Holmes, V Liu, BG Caulkins, E Hilario… - Proceedings of the …, 2022 - pnas.org
NMR-assisted crystallography—the integrated application of solid-state NMR, X-ray
crystallography, and first-principles computational chemistry—holds significant promise for …

The evolution of paramagnetic NMR as a tool in structural biology

E Ravera, L Gigli, L Fiorucci, C Luchinat… - Physical Chemistry …, 2022 - pubs.rsc.org
Paramagnetic NMR data contain extremely accurate long-range information on
metalloprotein structures and, when used in the frame of integrative structural biology …

NMR crystallography of a carbanionic intermediate in tryptophan synthase: chemical structure, tautomerization, and reaction specificity

BG Caulkins, RP Young, RA Kudla… - Journal of the …, 2016 - ACS Publications
Carbanionic intermediates play a central role in the catalytic transformations of amino acids
performed by pyridoxal-5′-phosphate (PLP)-dependent enzymes. Here, we make use of …

Picometer resolution structure of the coordination sphere in the metal-binding site in a metalloprotein by NMR

A Bertarello, L Benda, KJ Sanders, AJ Pell… - Journal of the …, 2020 - ACS Publications
Most of our understanding of chemistry derives from atomic-level structures obtained with
single-crystal X-ray diffraction. Metal centers in X-ray structures of small organometallic or …

Determination of the electronic and structural configuration of coordination compounds by synchrotron-radiation techniques

C Garino, E Borfecchia, R Gobetto… - Coordination Chemistry …, 2014 - Elsevier
In this review we provide an overview of the potential of synchrotron radiation techniques to
understand the structural and electronic properties of coordination compounds. Besides the …

Structure determination of protein–protein complexes with long-range anisotropic paramagnetic NMR restraints

MAS Hass, M Ubbink - Current opinion in structural biology, 2014 - Elsevier
Highlights•Anisotropic paramagnetic effects include PseudoContact Shifts and RDC.•PCS
provide long-range restraints for structure determination.•Practical aspects of PCS structure …