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Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
ab initio path integral molecular dynamics enzyme hydrogen bonding nuclear quantum effects proton delocalization
2016/5/25
Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab init...
Extreme Electric Fields Power Catalysis in the Active Site of Ketosteroid Isomerase
Electric Power Catalysis Active Site Ketosteroid Isomerase
2016/5/25
Enzymes use protein architecture to impose specific electrostatic fields onto their bound substrates, but the magnitude and catalytic effect of these electric fields have proven difficult to quantify ...
Quantitative Dissection of Hydrogen Bond-Mediated Proton Transfer in the Ketosteroid Isomerase Active Site
active site environment computational modeling enzyme catalysis protein electrostatics protein semisynthesis
2016/5/25
Hydrogen bond networks are key elements of protein structure and function but have been challenging to study within the complex protein environment. We have carried out in-depth interrogations of the ...
Quantitative,Directional Measurement of Electric Field Heterogeneity Within an Enzyme Active Site
Quantitative Directional Measurement Electric Field Heterogeneity Enzyme Active Site
2016/5/25
Extensive structural studies of enzymes have revealed that biological catalysis occurs within sequestered active site crevices, where reacting substrates are surrounded by an anisotropic and chemicall...
Electrostatic Fields Near the Active Site of Human Aldose Reductase:2.New Inhibitors and Complications Caused by Hydrogen Bonds
Humans Nitriles Aldehyde Reductase Spectrophotometry, Infrared Spectroscopy, Fourier Transform Infrared Binding Sites Catalytic Domain Protein Binding Kinetics Hydrogen Bonding
2016/5/25
Vibrational Stark effect spectroscopy was used to measure electrostatic fields in the hydrophobic region of the active site of human aldose reductase (hALR2). A new nitrile-containing inhibitor was de...
Solvation Response Along the Reaction Coordinate in the Active Site of Ketosteroid Isomerase
Pseudomonas putida Coumarins Isomerases Spectrometry, Fluorescence Catalytic Domain Ketosteroids Biocatalysis Light Models, Molecular Equilenin
2016/5/25
A light-activated reaction analog has been developed to mimic the catalytic reaction cycle of Delta(5)-3-ketosteroid isomerase to probe the functionally relevant protein solvation response to the cata...
Proton Affinity of the Oxyanion Hole in the Active Site of Ketosteroid Isomerase
Pseudomonas putida Protons Steroid Isomerases Crystallography,X-Ray Nuclear Magnetic Resonance,Biomolecular Catalytic Domain Protein Conformation Substrate Specificity Ketosteroids Mutagenesis, Site-Directed
2016/5/25
The absorption spectra of a series of inhibitors bound at the active site of Delta(5)-3-ketosteroid isomerase from Pseudomonas putida were found to exhibit substantial variations in the contributions ...
Electrostatic Fields Near the Active Site of Human Aldose Reductase:1.New Inhibitors and Vibrational Stark Effect Measurements
apoptosis ATM cisplatin IKK p73 ubiquitination
2016/5/25
Vibrational Stark effect spectroscopy was used to measure electrostatic fields in the hydrophobic region of the active site of human aldose reductase (hALR2). A new hALR2 inhibitor was designed and sy...
Do Ligand Binding and Solvent Exclusion Alter the Electrostatic Character within the Oxyanion Hole of an Enzymatic Active Site
Pseudomonas putida Thiocyanates Anions Oxygen Steroid Isomerases Ligands Spectroscopy, Fourier Transform Infrared Kinetics Binding Sites Static Electricity
2016/5/24
The thousands of enzyme structures solved to date have consistently revealed that biological catalysis occurs within sequestered pockets containing complex interdigitations of polar and hydrophobic gr...
Electric Fields at the Active Site of an Enzyme:Direct Comparison of Experiment with Theory
Humans Nitriles Enzyme Inhibitors Spectrophotometry, Infrared Spectrum Analysis Circular Dichroism Electricity Protein Conformation Protein Structure,Tertiary Protein Folding
2016/5/24
The electric fields produced in folded proteins influence nearly every aspect of protein function. We present a vibrational spectroscopy technique that measures changes in electric field at a specific...
Anomalous pattern of geochemical data recorded in the seismically active site of Pieschi (Southern Italy)
earthquakes geochemical signals time series
2015/9/2
This work explores three years of geochemical signals recorded by Pieschi station (Southern Italy). The measuring
station is located in a thermal spring located in the Southern Apennines Chain, one o...
The active site chemistry of factor inhibiting HIF-1, coordination, bonding, and reaction
Pure sciences Autohydroxylation Factor inhibiting HIF Iron center coordination
2014/12/10
Oxygen is vital for aerobic life. A shortage of oxygen can produce disastrous outcomes to cellular functions. To avoid this, eukaryotic cells developed an oxygen sensing machinery of which the key com...
Ligninolytic Peroxidase-Like Activity of a Synthetic Metalloporphine Immobilized onto Mercapto-Grafted Crosslinked PVA Inspired by the Active Site of Cytochrome P450（图）
porphine porphyrin lignin peroxidase cytochrome P450 biomimetic
2013/10/10
A synthetic metalloporphine was immobilized onto a PVA-based and mercapto-grafted solid support, emulating the active site of cytochrome P450. Its ligninolytic peroxidase-like catalytic activity was s...
专著信息
书名
An Unusual Cyclization in a Bis(cysteinyl-S) Diiron Complex Related to the Active Site of Fe-Only Hydrogenases
语种
英文
撰写或编译
作者
Chengjiang He,Mei Wang,Xiaofeng Zhang,Zhen Wang,Changneng Chen,Jia...
专著信息
书名
Synthesis, Structures and Electrochemical Properties of Nitro- and Amino-Functionalized Diiron Azadithiolates as Active Site Models of Fe-Only Hydrogenases
语种
英文
撰写或编译
作者
Tianbiao Liu,Mei Wang...