Nuclear magnetic resonance (NMR) has been instrumental in deciphering the structure of proteins. Here we show that transverse NMR relaxation, through its time-dependent relaxation rate, is distinctly sensitive to the structure of complex materials or biological tissues at the mesoscopic scale, from micrometers to tens of micrometers. Based on the ideas of universality, we show analytically and numerically that the time-dependent transverse relaxation rate approaches its long-time limit in a...
[NMR paper] NMR Observation of Sulfhydryl Signals in SARS-CoV-2 Main Protease Aids Structural Studies
NMR Observation of Sulfhydryl Signals in SARS-CoV-2 Main Protease Aids Structural Studies
The 68-kDa homodimeric 3C-like protease of SARS-CoV-2, M pro (3CL pro /Nsp5), is a key antiviral drug target. NMR spectroscopy of this large system proved challenging and resonance assignments have remained incomplete. Here we present the near-complete (>97%) backbone assignments of a C145A variant of M pro (M pro C145A ) both with, and without, the N-terminal auto-cleavage substrate sequence, in its native homodimeric state. We also present SILLY, a simple yet effective pseudo-3D NMR experiment...
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08-17-2022 06:05 PM
[ASAP] Ligand- and pH-Induced Structural Transition of Gypsy Moth Lymantria dispar Pheromone-Binding Protein 1 (LdisPBP1)
Ligand- and pH-Induced Structural Transition of Gypsy Moth Lymantria dispar Pheromone-Binding Protein 1 (LdisPBP1)
https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.0c00592/20200911/images/medium/bi0c00592_0012.gif
Biochemistry
DOI: 10.1021/acs.biochem.0c00592
http://feeds.feedburner.com/~r/acs/bichaw/~4/Hl9whcZefp0
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09-13-2020 09:18 AM
[NMR paper] Universality of Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors
Universality of Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors
The allosteric modulation of GPCRs by sodium (Na+) ions has drawn significant attention due to the availability of crystal structures of several receptors showing Na+ ions bound to the inactive conformations at the conserved Asp2.50. To date, structures from 24 families of GPCRs have been determined, though mechanistic insights into Na+ binding to the allosteric site are limited. We performed 100's of ?s long simulations of 15 GPCRs and elucidated their Na+ binding mechanism. In class A GPCRs, Na+ ion...
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02-06-2018 07:42 PM
Universality and specificity in protein motions - Science Daily
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Universality and specificity in protein motions
Science Daily
The researchers took starting structural information based on nuclear magnetic resonance or X-ray techniques, and simulated 14 behavioral dynamics in 12 proteins in times ranging from 50 nanoseconds to 1.23 milliseconds. In short, the researchers ...
Universality and specificity in protein motions - Science Daily
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10-14-2017 02:04 AM
Team identifies universality and specificity in protein motions - Phys.Org
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Team identifies universality and specificity in protein motions
Phys.Org
The researchers took starting structural information based on nuclear magnetic resonance or X-ray techniques, and simulated 14 behavioral dynamics in 12 proteins in times ranging from 50 nanoseconds to 1.23 milliseconds. In short, the researchers ...
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Team identifies universality and specificity in protein motions - Phys.Org
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10-13-2017 06:49 AM
[NMR paper] Structural insights into the calcium-mediated allosteric transition in the C-terminal domain of calmodulin from NMR measurements.
Structural insights into the calcium-mediated allosteric transition in the C-terminal domain of calmodulin from NMR measurements.
Related Articles Structural insights into the calcium-mediated allosteric transition in the C-terminal domain of calmodulin from NMR measurements.
Biochemistry. 2015 Nov 30;
Authors: Kukic P, Lundström P, Camilloni C, Evenäs J, Akke M, Vendruscolo M
Abstract
Calmodulin is a two-domain signalling protein that becomes activated upon binding cooperatively two pairs of calcium ions, leading to large-scale...
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12-01-2015 11:22 PM
[NMR paper] Pressure-induced structural transition of mature HIV-1 Protease from a combined NMR/MD simulation approach.
Pressure-induced structural transition of mature HIV-1 Protease from a combined NMR/MD simulation approach.
Related Articles Pressure-induced structural transition of mature HIV-1 Protease from a combined NMR/MD simulation approach.
Proteins. 2015 Sep 18;
Authors: Roche J, Louis JM, Bax A, Best RB
Abstract
We investigate the pressure-induced structural changes in the mature human immunodeficiency virus type 1 protease dimer (HIV-1 PR), using residual dipolar coupling (RDC) measurements in a weakly oriented solution. (1) DNH RDCs...
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09-20-2015 12:56 PM
[NMR paper] H-NMR and CD studies on the structural transition of serum albumin in the acidic regi
H-NMR and CD studies on the structural transition of serum albumin in the acidic region--the N-->F transition.
Related Articles H-NMR and CD studies on the structural transition of serum albumin in the acidic region--the N-->F transition.
J Pept Res. 1998 Dec;52(6):431-42
Authors: Era S, Sogami M
Helical content (f(alpha)) of bovine mercaptalbumin (BMA) showed the characteristic two-step decrease in the acidic region, one corresponding to the N-->F transition (pH 4.40-->3.75; f(alpha), 0.68-->0.58) and the other to the F-->E transition (the...
Observation of magnetic structural universality and jamming transition with NMR
Linear Mode
