Rajesh Kumar Reddy Sannapureddi – @RR_Sannapureddi
So far G-quadruplexes (G4) were studied individually, structural characteristics of G4s in presence of duplex is not well characterized. G4’s with duplex on 5’/3′ are designed to mimic genome. Here, we present atomistic characterization G4 and impact of 5’/3’ duplex and linker length using NMR and molecular dynamic (MD) simulations.
Nesreen Elathram – @NesreenElathram
Chromatin is a complex biological polymer that packages DNA and regulates access to the genetic information in eukaryotic cells. Chromatin structural biology is hampered by the size, the heterogeneity and the presence of both dynamic and rigid components in the polymer. Here, we use DNP to enhance the ssNMR sensitivity of chromatin and investigate the effect of cryogenic temperatures on chromatin structure and spectral resolution.
Manoj Madheswaran – @Mano_Sampath
Using Nuclear Magnetic Resonance (NMR) spectroscopy to investigate conformational equilibria of human prion protein in cell mimicking conditions, using ficoll, an inert crowding agent. Using CD and NMR methodologies, we carried out an atom by atom analysis of human prion thermal unfolding in the presence of ficoll.
Kenneth Marincin – @KennyMarincin
Nonribosomal peptide synthetase (NRPS) cyclization (Cy) domains are central to the biosynthesis of many medicinal and virulent compounds. Using solution NMR and mutagenesis, we showed that global dynamics convey an allosteric response to a partner domain which may be key to communication and substrate recognition in Cy domains.
Jobst Liebau – @Jobst_Liebau
Solution-state NMR of large protein complexes is difficult yet of huge interest. We demonstrate how it can be done on an asymmetric 410 kDa decamer, using methyl- and 19F-labeling. We validate structures and measure dynamics and transient RNA substrate interactions, thus expanding solution-state NMR into the realm of cryo-EM structures.
Joao Medeiros Silva – @JMSism
The Envelope Protein of SARS-CoV-2 forms a viroporin that induces inflammation and acute respiratory symptoms associated with COVID-19. Using ssNMR, we describe the structure and gating mechanisms governing this viroporin. 19F-NMR experiments revealed an aromatic network regulating the channel, which adopts an open-configuration at acidic pH and presence of calcium.
Orr Simon Lusky – @ItIsLusk
We present a new solid state NMR method we developed for studying biological macromolecules called ‘Pulse induced resonance with angular dependent total enhancement’ (PIRATE). We demonstrate a new resonance condition, and the application on finding hydrogen bond patterns in intact viral RNA harvested directly from the MS2 bacteriophage.
Brad D. Price – @braddprice
An in-depth functional understanding of proteins requires a technique for tracking their movement in real time. We present high-field, (tr)EPR ‘filming’ of room-temperature protein motion as progress toward real-time distance tracking in lifelike environments.
Xinyao Xiang – @xxiang2022
The nanoparticle-assisted NMR spin relaxation (NASR) method measures the enhancement in transverse spin relaxation in the presence of slowly tumbling nanoparticles. It uncovers protein internal motions on the previously unobservable nanosecond to microsecond regime. We recently extended our NASR method to methyl-side chains using 2H or 13C spin relaxation.
Soumendu Boral – @BoralSoumendu
Inteins perform protein splicing reaction. We solved solution NMR structure (PDB code: 7CFV) of a 136-residue DnaX mini-intein. The NMR structural ensemble has backbone and heavy atom RMSD of 0.27 and 0.52 Å, respectively. NMR-based HX and 15N-relaxation experiments showed the presence of a very stable core and conserved motions.
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