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Autor:
Zonghai Chen, Pengjiao Ma, Tao Luo, Lang Bao, Wei Liao, Liang Ge, Rongchuan Zhao, Xinyan Wang
Publikováno v:
Microbial Pathogenesis. 155:104890
Tuberculosis (TB) is a chronic infectious disease that creates a heavy medical burden worldwide. The only approved vaccine, Bacillus Calmette-Guerin (BCG), cannot fully protect adolescents and adults from TB. Therefore, there is an urgent need to dev
Autor:
Jakub Šebera, Marie Zgarbová, Ondřej Páv, Vladimír Sychrovský, Jiří Fukal, Miloš Buděšínský, Petr Jurečka
Publikováno v:
Journal of Computational Chemistry. 43:132-143
A method for averaging of NMR parameters by molecular dynamics (MD) has been derived from the method of statistical averaging in MD snapshots, benchmarked and applied to structurally dynamic interpretation of the 31 P NMR shift (δ31P ) in DNA phosph
Publikováno v:
Acta Crystallogr D Struct Biol
Multicopper oxidases (MCOs) represent a diverse family of enzymes that catalyze the oxidation of either an organic or a metal substrate with concomitant reduction of dioxygen to water. These enzymes contain variable numbers of cupredoxin domains, two
Autor:
Tsukasa Kusakizako, Go Kasuya, Koichi Nakajo, Osamu Nureki, Kan Kobayashi, Tomohiro Nishizawa, Hiroyuki Okamoto, Yoshiaki Kise, Daichi Yamanouchi
Publikováno v:
Nature
Modulation of voltage-gated potassium (Kv) channels by auxiliary subunits is central to the physiological function of channels in the brain and heart1,2. Native Kv4 tetrameric channels form macromolecular ternary complexes with two auxiliary β-subun
Publikováno v:
Chemistry (Weinheim an Der Bergstrasse, Germany)
Dodecamer duplex DNA containing anomeric (α/β‐d) and enantiomeric (β‐l/β‐d) 2’‐deoxycytidine mismatches was studied with respect to base pair stability in the absence and presence of silver ions. Stable duplexes with silver‐mediated c
Publikováno v:
IUCrJ, Vol 8, Iss 3, Pp 362-371 (2021)
Bacterial toxin–antitoxin (TA) systems correlate strongly with physiological processes in bacteria, such as growth arrest, survival and apoptosis. Here, the first crystal structure of a type II TA complex structure of Klebsiella pneumoniae at 2.3
Publikováno v:
Nucleic Acids Research
Visualization of double stranded DNA in gels with the binding of the fluorescent dye ethidium bromide has been a basic experimental technique in any molecular biology laboratory for >40 years. The interaction between ethidium and double stranded DNA
Publikováno v:
The Journal of Physical Chemistry B. 125:771-779
Studying the DNA hybridization equilibrium via brute force molecular dynamics (MD) or commonly used advanced sampling approches is notoriously difficult at atomistic lengthscale. However, besides providing a more realistic modeling of this microscopi
Autor:
Adam G. Kreutzer, Tuan D. Samdin, Sepehr Haerianardakani, James S. Nowick, Patrick J. Salveson, Gretchen Guaglianone
Publikováno v:
J Am Chem Soc
Oligomers of the β-amyloid peptide, Aβ, play a central role in the pathogenesis and progression of Alzheimer’s disease. Trimers and higher-order oligomers composed of trimers are thought to be the most neurotoxic Aβ oligomers. To gain insights i