Results 31 to 40 of about 14,121 (262)

Predicting copper-, iron- and zinc-binding proteins in pathogenic species of the Paracoccidioides genus

Frontiers in Microbiology, 2015
Approximately one-third of all proteins have been estimated to contain at least one metal cofactor, and these proteins are referred to as metalloproteins.
Gabriel B Tristao, Leandro Prado Assunção, Luiz Paulo Araujo Santos, CLAYTON LUIZ BORGES, Mirelle Garcia Silva-Bailao, Célia Maria de Almeida Soares, Gabriele eCavallaro, Alexandre Melo BAILAO   +7 more
doaj   +1 more source

In Silico Simulations Reveal Molecular Mechanism of Uranyl Ion Toxicity towards DNA-Binding Domain of PARP-1 Protein

Biomolecules, 2023
The molecular toxicity of the uranyl ion (UO22+) in living cells is primarily determined by its high affinity to both native and potential metal-binding sites that commonly occur in the structure of biomolecules.
Egor S. Bulavko, Marina A. Pak, Dmitry N. Ivankov   +2 more
doaj   +1 more source

Artificial Metalloproteins with Dinuclear Iron–Hydroxido Centers [PDF]

, 2021
Dinuclear iron centers with a bridging hydroxido or oxido ligand form active sites within a variety of metalloproteins. A key feature of these sites is the ability of the protein to control the structures around the Fe centers, which leads to entatic ...
Sabuncu, Sinan, Albert, Therese, Moënne-Loccoz, Pierre, Biswas, Ankita, Miller, Kelsey R, Biswas, Saborni, Follmer, Alec H, Borovik, AS, Bominaar, Emile L, Jasniewski, Andrew, Hendrich, Michael P   +10 more
core   +1 more source

How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity

Molecules, 2022
Almost half of all known proteins contain metal co-factors. Crucial for the flawless performance of a metalloprotein is the selection with high fidelity of the cognate metal cation from the surrounding biological fluids.
Todor Dudev
doaj   +1 more source

Ab Initio Molecular Dynamics Simulation of Zinc metalloproteins with Enhanced Self-Organizing Incremental High Dimensional Neural Network

, 2020
Artificial neural network provides the possibility to develop molecular potentials with both the efficiency of the classical molecular mechanics and the accuracy of the quantum chemical methods.
John ZH, Zhang, Mingyuan, Xu, Tong, Zhu
core   +1 more source

Bioinformatic Mapping of Opine-Like Zincophore Biosynthesis in Bacteria

mSystems, 2020
Zinc is an essential nutrient in biological systems due to its structural or catalytic requirement in proteins involved in diverse cellular processes. To meet this cellular demand, microbes must acquire sufficient zinc from their environment.
Jacqueline R. Morey, Thomas E. Kehl-Fie
doaj   +1 more source

Enzyme‐Like Synthetic Cleft for Light‐Driven Water‐Oxidation Catalysis Via an Oxide Relay Pathway

Angewandte Chemie, EarlyView.
A carboxylic acid group introduced into the second coordination sphere of a Ru(bda) water oxidation catalyst forms a defined hydrogen bond within the catalytic cleft. This interaction locks the group in place and enables an intramolecular oxide relay pathway between Ru(V)═O and the carboxylate group, providing a distinct and efficient route for O─O ...
Daniel A. P. Friedewald, Gourab Das, Philipp H. Kirchner, Olga Anhalt, Deqi Tang, Sandra Luber, Florian Beuerle, Frank Würthner   +7 more
wiley   +2 more sources

Design of artificial metalloproteins/metalloenzymes by tuning noncovalent interactions [PDF]

, 2017
Noncovalent weak interactions [hydrophobic interaction and hydrogen (H)-bond] play crucial roles in controlling the functions of biomolecules, and thus have been used to design artificial metalloproteins/metalloenzymes during the past few decades.
Shun Hirota, Ying‐Wu Lin
openalex   +3 more sources

Oxygen‐Tolerant Photo‐Induced Miniaturized Accelerated Atom Transfer Radical Polymerization (OPTIMA‐ATRP) for High‐Throughput Synthesis of Polymer Bioconjugates

Angewandte Chemie, EarlyView.
Oxygen‐tolerant photo‐induced miniaturized accelerated atom transfer radical polymerization (OPTIMA‐ATRP) in water was developed for the polymerization of hydrophilic (meth)acrylate monomers under ambient or sub‐ambient (4°C) temperature and atmospheric conditions, without prior degassing, in less than 10 min, at an ultra‐small scale (< 50 µL) in ...
Arman Moini Jazani, Roksana Wygoda, Hironobu Murata, Mozhdeh Madadi, Grzegorz Przesławski, Krzysztof Matyjaszewski   +5 more
wiley   +2 more sources

The Stereochemical Basis of the Genetic Code and the (Mostly) Autotrophic Origin of Life

Life, 2014
Spark-tube experiments and analysis of meteorite contents have led to the widespread notion that abiotic organic molecules were the first life components.
Juan C. Fontecilla-Camps
doaj   +1 more source