نتایج جستجو برای: metalloprotein

تعداد نتایج: 408  

Journal: :The journal of physical chemistry. B 2011
Yong L Li Ye Mei Da W Zhang Dai Q Xie John Z H Zhang

Structures and dynamics of a recently designed dizinc metalloprotein (DFsc) (J. Mol. Biol. 2003, 334, 1101) are studied by molecular dynamics simulation using a dynamically adapted polarized force field derived from fragment quantum calculation for protein in solvent. To properly describe the effect of charge transfer and polarization in the present approach, quantum chemistry calculation of th...

2010
Matthieu Rouffet César Augusto F. de Oliveira Yael Udi Arpita Agrawal Irit Sagi J. Andrew McCammon Seth M. Cohen

Derived from the extensive work in the area of small molecule zinc(II) ion sensors, chelating fragment libraries of quinoline- and benzimidazole-sulfonamides have been prepared and screened against several different zinc(II)-dependent matrix metalloproteinases (MMPs). The fragments show impressive inhibition of these metalloenzymes and preferences for different MMPs based on the nature of the c...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 2007
Alessandro Arcovito Maurizio Benfatto Michele Cianci S Samar Hasnain Karin Nienhaus G Ulrich Nienhaus Carmelinda Savino Richard W Strange Beatrice Vallone Stefano Della Longa

X-ray absorption spectroscopy is exquisitely sensitive to the coordination geometry of an absorbing atom and therefore allows bond distances and angles of the surrounding atomic cluster to be measured with atomic resolution. By contrast, the accuracy and resolution of metalloprotein active sites obtainable from x-ray crystallography are often insufficient to analyze the electronic properties of...

2015
Michael Syka Jiří Keller Jiří Klempíř Aaron M. Rulseh Jan Roth Robert Jech Ivan Vorisek Josef Vymazal

Huntington's disease (HD) is an inherited neurodegenerative disorder with progressive impairment of motor, behavioral and cognitive functions. The clinical features of HD are closely related to the degeneration of the basal ganglia, predominantly the striatum. The main striatal output structure, the globus pallidus, strongly accumulates metalloprotein-bound iron, which was recently shown to inf...

Journal: :Journal of Surface Engineered Materials and Advanced Technology 2020

Journal: :Proceedings of the National Academy of Sciences 2016

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