Closed fumarase C active‐site structures reveal SS Loop residue contribution in catalysis
Sign Up to like & getrecommendations! Published in 2019 at "FEBS Letters"
DOI: 10.1002/1873-3468.13603
Abstract: Fumarase C (FumC) catalyzes the reversible conversion of fumarate to S‐malate. Previous structural investigations within the superfamily have reported a dynamic structural segment, termed the SS Loop. To date, active‐site asymmetry has raised the question… read more here.
Keywords: contribution; active site; closed fumarase; site ... See more keywords
Substituting Tyr138 in the active site loop of human phenylalanine hydroxylase affects catalysis and substrate activation
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DOI: 10.1002/2211-5463.12243
Abstract: Mammalian phenylalanine hydroxylase (PAH) is a key enzyme in l‐phenylalanine (l‐Phe) metabolism and is active as a homotetramer. Biochemical and biophysical work has demonstrated that it cycles between two states with a variably low and… read more here.
Keywords: phe; phenylalanine; phenylalanine hydroxylase; active site ... See more keywords
Mechanism of imidazole inhibition of a GH1 β‐glucosidase
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DOI: 10.1002/2211-5463.13595
Abstract: Imidazole is largely employed in recombinant protein purification, including GH1 β‐glucosidases, but its effect on the enzyme activity is rarely taken into consideration. Computational docking suggested that imidazole interacts with residues forming the active site… read more here.
Keywords: active site; mechanism imidazole; inhibition; gh1 glucosidase ... See more keywords
Atomic‐Level Design of Active Site on Two‐Dimensional MoS2 toward Efficient Hydrogen Evolution: Experiment, Theory, and Artificial Intelligence Modelling
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202206163
Abstract: Atom‐economic catalysts open a new era of computationally driven atomistic design of catalysts. Rationally manipulating the structures of the catalyst with atomic‐level precision would definitely play a significant role in the future chemical industry. Of… read more here.
Keywords: atomic level; artificial intelligence; design; active site ... See more keywords
Heterointerface Created on Au‐Cluster‐Loaded Unilamellar Hydroxide Electrocatalysts as a Highly Active Site for the Oxygen Evolution Reaction
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DOI: 10.1002/adma.202110552
Abstract: The oxygen evolution reaction (OER) is a critical element for all sorts of reactions that use water as a hydrogen source, such as hydrogen evolution and electrochemical CO2 reduction, and novel design principles that provide… read more here.
Keywords: active site; spectroscopy; oxygen evolution; cluster ... See more keywords
Controlling the Regioselectivity of Baeyer–Villiger Monooxygenases by Mutation of Active‐Site Residues
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DOI: 10.1002/cbic.201700223
Abstract: Baeyer–Villiger monooxygenase (BVMO)‐mediated regiodivergent conversions of asymmetric ketones can lead to the formation of “normal” or “abnormal” lactones. In a previous study, we were able to change the regioselectivity of a BVMO by mutation of… read more here.
Keywords: site residues; mutation active; baeyer villiger; regioselectivity ... See more keywords
Structural Dynamics Support Electrostatic Interactions in the Active Site of Adenylate Kinase
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DOI: 10.1002/cbic.202200097
Abstract: Electrostatic preorganization as well as structural and dynamic heterogeneity are often used to rationalize the remarkable catalytic efficiency of enzymes. However, they are often presented as incompatible because the generation of permanent electrostatic effects implies… read more here.
Keywords: electrostatic interactions; active site; site adenylate; adenylate kinase ... See more keywords
Mapping the Chemical Space of Active‐Site Targeted Covalent Ligands for Protein Tyrosine Phosphatases **
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DOI: 10.1002/cbic.202200706
Abstract: Protein tyrosine phosphatases (PTPs) are an important class of enzymes that modulate essential cellular processes through protein dephosphorylation and are dysregulated in various disease states. There is demand for new compounds that target the active… read more here.
Keywords: protein tyrosine; mapping chemical; space active; tyrosine phosphatases ... See more keywords
From Active‐Site Models to Real Catalysts: Importance of the Material Gap in the Design of Pd Catalysts for Methane Oxidation
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DOI: 10.1002/cctc.201601333
Abstract: Rapid computational screening to aid novel catalyst design has evolved into an important and ubiquitous tool in modern heterogeneous catalysis. A possible shortcoming of this approach, however, is the material gap, that is, simplified computational… read more here.
Keywords: methane oxidation; material gap; oxidation; active site ... See more keywords
Transition Metal‐Nitrogen‐Carbon Active Site for Oxygen Reduction Electrocatalysis: Beyond the Fascinations of TM‐N4
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DOI: 10.1002/cctc.201801679
Abstract: Low cost transition metal‐nitrogen‐carbon (TM‐N‐C) catalysts hold excellent electrocatalytic activity and stability for oxygen reduction reaction (ORR), and have been considered as the most promising alternative to commercial Pt/C. TM‐N4, once identified as one potential… read more here.
Keywords: transition metal; active site; site; nitrogen carbon ... See more keywords
Cobalt‐based coordination polymer as high activity electrocatalyst for oxygen reduction reaction: Catalysis by novel active site CoO4N2
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Energy Research"
DOI: 10.1002/er.5074
Abstract: [{Co3(μ3‐OH)(BTB)2(BPE)2}{Co0.5N(C5H5)}] (Co‐CP) as a coordination polymer for catalyzing oxygen reduction reaction (ORR) has recently been reported to exhibit high ORR performance because of its novel structural characteristics. Nevertheless, the detailed mechanism remains far from enough.… read more here.
Keywords: coordination polymer; reduction reaction; reaction; oxygen reduction ... See more keywords