Journal ArticleDOI
Protein Control of Redox Potentials of Iron−Sulfur Proteins
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This article is published in Chemical Reviews.The article was published on 1996-11-07. It has received 315 citations till now. The article focuses on the topics: Redox.read more
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Multicopper Oxidases and Oxygenases
TL;DR: Copper sites have historically been divided into three classes based on their spectroscopic features, which reflect the geometric and electronic structure of the active site: type 1 or blue copper, type 2 (T2) or normal copper, and type 3 (T3) or coupled binuclear copper centers.
Journal ArticleDOI
X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution.
TL;DR: A three-dimensional structure for the monomeric iron-containing hydrogenase (CpI) from Clostridium pasteurianum was determined, providing insights into the mechanism of biological hydrogen activation and has broader implications for [Fe-S] cluster structure and function in biological systems.
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Dendritic Encapsulation of Function: Applying Nature's Site Isolation Principle from Biomimetics to Materials Science.
Stefan Hecht,Jean M. J. Fréchet +1 more
TL;DR: The recent progress in the synthesis of dendrimer-encapsulated molecules and their study by a variety of techniques is discussed, and a natural design principle that contributes to bridging the gap between biology and materials science is focused on.
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What are the dielectric “constants” of proteins and how to validate electrostatic models?
Claudia N. Schutz,Arieh Warshel +1 more
TL;DR: This review considers the meaning of the protein dielectric constants and the ways to determine their optimal values and introduces a discriminative benchmark that only includes residues whose pKa values are shifted significantly from their values in water.
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Crystal structure of the nickel–iron hydrogenase from Desulfovibrio gigas
TL;DR: The X-ray structure of the heterodimeric Ni–Fe hydrogenase from Desulfovibrio gigas, the enzyme responsible for the metabolism of molecular hydrogen, has been solved at 2.85 Å resolution and suggests plausible electron and proton transfer pathways.
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Calculations of electrostatic interactions in biological systems and in solutions.
Arieh Warshel,S.T. Russell +1 more
TL;DR: The key requirement for quantative understanding of the action of biological molecules is the ability to correlate electrostatic interactions with structural information, and the electrostatic free energy can be approximated by the Born formula.
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Crystallographic Structure of the Nitrogenase Iron Protein from Azotobacter vinelandii
TL;DR: The crystal structure of the nitrogenase Fe-protein from Azotobacter vinelandii has been determined and it appears that interactions between the nucleotide and cluster sites must be indirectly coupled by allosteric changes occurring at the subunit interface.
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Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase
TL;DR: The crystal structure of the tungsten-containing aldehyde ferredoxin oxidoreductase (AOR) from Pyrococcus furiosus, a hyperthermophilic archaeon that grows optimally at 100 degrees C, has been determined at 2.3 angstrom resolution by means of multiple isomorphous replacement and multiple crystal form averaging.
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A surface constrained all‐atom solvent model for effective simulations of polar solutions
Gregory King,Arieh Warshel +1 more
TL;DR: The surface constrained all-atom solvent (SCAAS) model as discussed by the authors is a surface constrained soft sphere dipoles (SCSSD) model that takes into account surface polarization effects.