Solid-state NMR articles within Nature Communications

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  • Article
    | Open Access

    NMR structure determination is challenging for proteins with a molecular weight above 30 kDa and atomic-resolution structure determination from cryo-EM data is currently not the rule. Here the authors describe an integrated structure determination approach that simultaneously uses NMR and EM data and allows them to determine the structure of the 468 kDa dodecameric aminopeptidase TET2 complex.

    • Diego F. Gauto
    • , Leandro F. Estrozi
    •  & Jerome Boisbouvier

  • Article
    | Open Access

    The halogen bond is well known for its ability to assemble supramolecules. Here, using NMR experiments, the authors reveal the role of these bonds in dynamic processes, finding that the halogen bond directly catalyzes dynamical rotation in solid cocrystals by reducing the associated energy barrier.

    • Patrick M. J. Szell
    • , Scott Zablotny
    •  & David L. Bryce

  • Article
    | Open Access

    The interactions of lignin with polysaccharides in plant secondary cell walls are not well understood. Here the authors employ solid-state NMR measurements to analyse intact stems of maize, Arabidopsis, switchgrass and rice and observe that lignin self-aggregates and forms highly hydrophobic microdomains that make extensive surface contacts to xylan.

    • Xue Kang
    • , Alex Kirui
    •  & Tuo Wang

  • Article
    | Open Access

    Spontaneous activity shifts at constant experimental conditions are widespread among ion channels but the molecular origins are poorly understood. Here, using solid-state NMR and MD simulations, the authors reveal that modal gating shifts in K + channels are caused by large shifts in the channel dynamics which perturb the selectivity filter.

    • Shehrazade Jekhmane
    • , João Medeiros-Silva
    •  & Markus Weingarth

  • Article
    | Open Access

    Impaired kidney function can lead to an increase of β2-microglobulin (β2m) serum levels, which can cause β2m aggregation and amyloid fibril formation. Here the authors combine cryo-EM and magic angle spinning NMR measurements to determine the structure of a β2m fibril and they also present the low resolution model of a β2m fibril with a different morphology.

    • Matthew G. Iadanza
    • , Robert Silvers
    •  & Sheena E. Radford

  • Article
    | Open Access

    Fast oxide ion conductors are the key materials for some technological devices. Here the authors report the creation and stabilization of oxygen vacancies in BiVO4 Scheelite with isolated tetrahedral anion structures for improved ionic conducting performance and understanding of the conduction mechanism.

    • Xiaoyan Yang
    • , Alberto J. Fernández-Carrión
    •  & Xiaojun Kuang

  • Article
    | Open Access

    Binding of bacterial peptidoglycan muramyl dipeptides induces NOD2 activation and signalling via the downstream adaptor kinase RIP2. Here the authors show that RIP2 forms filaments via its CARD domain, analyse the structure of the CARD filaments and demonstrate the requirement of RIP2 polymerisation for the activation of NF-κB by NOD2.

    • Erika Pellegrini
    • , Ambroise Desfosses
    •  & Stephen Cusack

  • Article
    | Open Access

    Hydrogen atoms in water ices, under pressures at which they might exist in ocean exoplanets and icy moons, exhibit dynamics that are still poorly understood. Here, 1H-NMR experiments approaching the Mbar range shed light on the symmetrisation of hydrogen bonds preceding and accompanying the transformation of ice VII into ice X.

    • Thomas Meier
    • , Sylvain Petitgirard
    •  & Leonid Dubrovinsky

  • Article
    | Open Access

    Aspergillus fumigatus is a pathogenic fungus. Here the authors perform solid-state NMR measurements with intact Aspergillus cells, which provides insights into cell wall composition and dynamics and propose a structural model for fungal cell walls.

    • Xue Kang
    • , Alex Kirui
    •  & Tuo Wang

  • Article
    | Open Access

    Exploring the hyperfine-coupled quantum Hall (QH) system facilitates the nuclear spintronic applications. Here the authors reveal the origin of the nonequilibrium QH phenomena by mapping the spatial distribution of nuclear and electron spin polarization in a GaAs quantum well with scanning probe incorporated nuclear resonance technique.

    • Katsushi Hashimoto
    • , Toru Tomimatsu
    •  & Yoshiro Hirayama

  • Article
    | Open Access

    NaK is a non-selective cation channel that conducts sodium (Na+) and potassium (K+) equally well. Here authors use ssNMR and MD simulations to show that the selectivity filter of NaK adopts two conformations in the absence of ions, one of which is preferred by Na+ and the other by K+.

    • Chaowei Shi
    • , Yao He
    •  & Han Sun

  • Article
    | Open Access

    Porins, like OmpG, are embedded in the outer membrane of bacteria and facilitate uptake and secretion of nutrients and ions. Here the authors present a protocol for solid state NMR structure determination of proteins larger than 25 kDa and use it to structurally characterize membrane embedded OmpG.

    • Joren S. Retel
    • , Andrew J. Nieuwkoop
    •  & Hartmut Oschkinat

  • Article
    | Open Access

    The process of HIV particle maturation involves complex molecular transitions. Here the authors combine NMR spectroscopy, cryo-EM, and molecular dynamics simulations to provide insight into the conformational equilibria in CA-SP1 assemblies relevant to HIV-1 maturation intermediates formation.

    • Mingzhang Wang
    • , Caitlin M. Quinn
    •  & Tatyana Polenova

  • Article
    | Open Access

    The Alzheimer protein Tau interacts with biological membranes, but the role of these interactions in regulating Tau function in health and disease remains unexplored. Here, the authors report on the discovery and characterization of neurotoxic oligomeric protein/phospholipid complexes.

    • Nadine Ait-Bouziad
    • , Guohua Lv
    •  & Hilal A. Lashuel

  • Article
    | Open Access

    The large impedance at the interface between electrode and electrolyte poses a challenge to the development of solid-state batteries. Here the authors utilize two-dimensional lithium-ion exchange-NMR to monitor the spontaneous lithium-ion transport, providing insight into the interface design.

    • Chuang Yu
    • , Swapna Ganapathy
    •  & Marnix Wagemaker

  • Article
    | Open Access

    Prion diseases can be transmitted across species. Here the authors use solid-state NMR to study prion protein (PrP) amyloids from human, mouse and Syrian hamster and show that their structural differences are mainly governed by two residues, which helps to understand interspecies PrP propagation on a molecular level.

    • Theint Theint
    • , Philippe S. Nadaud
    •  & Christopher P. Jaroniec

  • Article
    | Open Access

    The exposed facets of oxide nanocrystals are key to their properties. Here, the authors use 17O solid-state NMR spectroscopy to discriminate between oxygen species on different facets of anatase titania nanocrystals, providing compelling evidence for the value of NMR spectroscopy in characterizing faceted oxides.

    • Yuhong Li
    • , Xin-Ping Wu
    •  & Luming Peng

  • Article
    | Open Access

    X-ray crystallography is the main method for protein structure determination. Here the authors combine solid-state NMR measurements and molecular dynamics simulations and show that crystal packing alters the thermodynamics and kinetics of local conformational exchange as well as overall rocking motion of protein molecules in the crystal lattice.

    • Vilius Kurauskas
    • , Sergei A. Izmailov
    •  & Paul Schanda

  • Article
    | Open Access

    Huntington's disease is caused by a polyglutamine stretch expansion in the first exon of huntingtin. Here, the authors use infrared spectroscopy and solid-state NMR and show that polymorphic huntingtin exon1 fibres differ in their flanking regions but not their core polyglutamine amyloid structures.

    • Hsiang-Kai Lin
    • , Jennifer C. Boatz
    •  & Patrick C. A. van der Wel

  • Article
    | Open Access

    The outer mitochondrial membrane translocator protein (TSPO) mediates several mitochondrial functions and binds cholesterol with a high affinity. Here the authors use solid-state NMR to show that cholesterol binding to TSPO results in allosteric changes that modulate TSPO oligomerization.

    • Garima Jaipuria
    • , Andrei Leonov
    •  & Markus Zweckstetter

  • Article
    | Open Access

    Single electrons of solid-state defects can be used to detect nearby nuclear spins, but so far only a few at a time have been resolved. Here the authors propose an approach based on delayed entanglement echo that demonstrates improved detection and manipulation capabilities of nuclear spins by an NV centre.

    • Zhen-Yu Wang
    • , Jorge Casanova
    •  & Martin B. Plenio

  • Article
    | Open Access

    Solid-state NMR can in principle be used to study calcium environments in biomaterials such as bones/teeth, but43Ca lacks receptivity. Here the authors present an approach to acquire 43Ca data for hydroxyapatite at its natural isotopic abundance, distinguishing between core and surface Ca sites.

    • Daniel Lee
    • , César Leroy
    •  & Gaël De Paëpe

  • Article
    | Open Access

    The polysaccharide xylan binds to cellulose microfibrils in the plant cell wall, but the nature of this interaction remains unclear. Here Simmonset al. show that while xylan forms a threefold helical screw in solution it forms a twofold screw to bind cellulose microfibrils in the plant cell wall.

    • Thomas J. Simmons
    • , Jenny C. Mortimer
    •  & Paul Dupree

  • Article
    | Open Access

    Magnetic resonance imaging is a promising non-invasive approach to visualize paramagnetic materials in devices, but the short lifetime of signals currently limits its use. Here, the authors develop an approach which overcomes this hurdle to spectroscopically image lithiation fronts during battery operation.

    • Mingxue Tang
    • , Vincent Sarou-Kanian
    •  & Elodie Salager

  • Article
    | Open Access

    The chlorosome of the photosynthetic bacterium C. tepidumharvests light and transfers the energy to the photosynthetic reaction centre. Here the authors determine the structure of the baseplate, a scaffolding super-structure, to show that the baseplate consists of rods of repeated CsmA dimers containing pigment molecules.

    • Jakob Toudahl Nielsen
    • , Natalia V. Kulminskaya
    •  & Niels Chr. Nielsen

  • Article |

    Solving structures of large protein complexes remains a significant challenge for structural biologists. Demers et al. determine the atomic structure of a Shigellatype-III secretion system using a Rosetta-based modelling strategy that draws on both solid-state NMR and cryo-electron microscopy data sets.

    • Jean-Philippe Demers
    • , Birgit Habenstein
    •  & Nikolaos G. Sgourakis

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