Results 41 to 50 of about 4,446,617 (245)

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database

Journal of Cheminformatics, 2018
Computer descriptions of chemical molecular connectivity are necessary for searching chemical databases and for predicting chemical properties from molecular structure.
M. Quirós, S. Gražulis, Saulė Girdzijauskaitė, Andrius Merkys, A. Vaitkus   +4 more
semanticscholar   +1 more source

Semax, a Copper Chelator Peptide, Decreases the Cu(II)-Catalyzed ROS Production and Cytotoxicity of aβ by Metal Ion Stripping and Redox Silencing

Bioinorganic Chemistry and Applications
Alzheimer’s disease (AD) is the most common neurodegenerative disorder associated with cognitive decline and loss of memory. It is postulated that the generation of reactive oxygen species (ROS) in Fenton-like reaction connected with Cu(II)/Cu(I) redox ...
Marianna Flora Tomasello, Maria Carmela Di Rosa, Irina Naletova, Michele Francesco Maria Sciacca, Alessandro Giuffrida, Giuseppe Maccarrone, Francesco Attanasio   +6 more
doaj   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Variable temperature studies of tetrapyridinesilver(I) hexafluorophosphate and tetrapyridinesilver(I) hexafluoroantimonate

Acta Crystallographica Section E: Crystallographic Communications
As part of a larger study into phase transitions, the structures of tetrapyridinesilver(I) hexafluorophosphate, [Ag(C5H5N)4](PF6) or AgPy4PF6, and tetrapyridinesilver(I) hexafluoroantimonate, [Ag(C5H5N)4](SbF6) or AgPy4SbF6, were determined at 300 and ...
Alice G. McNelly, Kirsten E. Christensen, Amber L. Thompson   +2 more
doaj   +1 more source

Hexakis-2-(β-carboxyethenylphenoxy)cyclotriphosphazene: Synthesis, Properties, Modeling Structure

Molecules, 2023
Condensation of hexakis-2-(formylphenoxy)cyclotriphosphazene with malonic acid yielded hexakis-2-(β-carboxyethenylphenoxy)cyclotriphosphazene (2-CEPP), whose structure was confirmed by 31P, 1H, 13C NMR spectroscopy and MALDI-TOF mass spectrometry.
Pavel Yudaev, Anastasia Konstantinova, Vladimir Volkov, Evgeniy Chistyakov   +3 more
doaj   +1 more source

Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations

FEBS Letters, EarlyView.
The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas, Brigitta Maruzs, Zsófia E. Kálmán, Tomas Klumpler, Gyula Batta, Bálint Péterfia, Zoltán Gáspári   +6 more
wiley   +1 more source

Epitope mapping of monoclonal antibodies: a comprehensive comparison of different technologies

mAbs, 2023
Monoclonal antibodies have become an important class of therapeutics in the last 30 years. Because the mechanism of action of therapeutic antibodies is intimately linked to their binding epitopes, identification of the epitope of an antibody to the ...
Xibei Dang, Lars Guelen, David Lutje Hulsik, Grigori Ermakov, Edward J. Hsieh, Joost Kreijtz, Judith Stammen-Vogelzangs, Imke Lodewijks, Astrid Bertens, Arne Bramer, Marco Guadagnoli, Alexis Nazabal, Andrea van Elsas, Thierry Fischmann, Veronica Juan, Amy Beebe, Maribel Beaumont, Hans van Eenennaam   +17 more
doaj   +1 more source

Phosphoinositides and inositol phosphates as molecular glues

FEBS Letters, EarlyView.
Inositol phosphates (IPs) and phosphoinositides (PIPs) regulate diverse eukaryotic processes. Beyond recruiting signaling proteins or acting as structural cofactors, recent studies suggest they mediate protein–protein interactions as natural molecular glues.
Aleshia Seaton‐Terry, Alexander J. Cutright, Mong Na Claire Loi, Jessica Martin, Joseph W. Gilligan, Jakub N. Kubina, Michael J. Arambula, Susanna Tanada Palmu, Daniella Zhou, Raymond D. Blind   +9 more
wiley   +1 more source

The macromolecular crystallography beamlines of the Helmholtz-Zentrum Berlin at the BESSY II storage ring: history, current status and future directions

Journal of Synchrotron Radiation
Since 2003, the Macromolecular Crystallography (MX) group at Helmholtz-Zentrum Berlin (HZB) has been operating three MX beamlines at the BESSY II storage ring in Berlin.
Uwe Mueller, Tatjana Barthel, Laila S. Benz, Volodymyr Bon, Thomas Crosskey, Camilla Genter Dieguez, Ronald Förster, Christine Gless, Thomas Hauß, Udo Heinemann, Michael Hellmig, David James, Frank Lennartz, Melanie Oelker, Ruslan Ovsyannikov, Parinita Singh, Markus C. Wahl, Gert Weber, Manfred S. Weiss   +18 more
doaj   +1 more source

Three phosphatase families form a community: The phosphohydrolases that act upon inositol pyrophosphates

FEBS Letters, EarlyView.
Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley   +1 more source