Decoupling of catalysis and transition state analog binding from mutations throughout a phosphatase revealed by high-throughput enzymology
Using high-throughput microfluidic enzyme kinetics (HT-MEK), we measured over 9,000
inhibition curves detailing impacts of 1,004 single-site mutations throughout the alkaline …
inhibition curves detailing impacts of 1,004 single-site mutations throughout the alkaline …
Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis
EJ Walker, CJ Hamill, R Crean, MS Connolly… - ACS …, 2024 - ACS Publications
Many enzymes display non-Arrhenius behavior with curved Arrhenius plots in the absence
of denaturation. There has been significant debate about the origin of this behavior and …
of denaturation. There has been significant debate about the origin of this behavior and …
Vibrational Energy Landscapes and Energy Flow in GPCRs
H Poudel, DJ Wales, DM Leitner - The Journal of Physical …, 2024 - ACS Publications
We construct and analyze disconnectivity graphs to provide the first graphical representation
of the vibrational energy landscape of a protein, in this study β2AR, a G-protein coupled …
of the vibrational energy landscape of a protein, in this study β2AR, a G-protein coupled …
Exploring the Synthesis of Self-Organization and Active Motion
Proteins, genetic material, and membranes are fundamental to all known organisms, yet
these components alone do not constitute life. Life emerges from the dynamic processes of …
these components alone do not constitute life. Life emerges from the dynamic processes of …
[HTML][HTML] Uncovering protein ensembles: automated multiconformer model building for X-ray crystallography and cryo-EM
In their folded state, biomolecules exchange between multiple conformational states that are
crucial for their function. Traditional structural biology methods, such as X-ray …
crucial for their function. Traditional structural biology methods, such as X-ray …
13C Electron Nuclear Double Resonance Spectroscopy-Guided Molecular Dynamics Computations Reveal the Structure of the Enzyme–Substrate Complex of an …
Lipoxygenase (LOX) enzymes produce important cell-signaling mediators, yet attempts to
capture and characterize LOX–substrate complexes by X-ray co-crystallography are …
capture and characterize LOX–substrate complexes by X-ray co-crystallography are …
Effect of solvent viscosity on the activation barrier of hydrogen tunneling in the lipoxygenase reaction
L Guevara, M Gouge, A Ohler, SG Hill, S Patel… - Archives of Biochemistry …, 2023 - Elsevier
Hydrogen tunneling in enzyme reactions has played an important role in linking protein
thermal motions to the chemical steps of catalysis. Lipoxygenases (LOXs) have served as …
thermal motions to the chemical steps of catalysis. Lipoxygenases (LOXs) have served as …
Ballistic energy transport via long alkyl chains: A new initiation mechanism
SU Nawagamuwage, ES Williams… - The Journal of …, 2024 - ACS Publications
In an effort to increase the speed and efficiency of ballistic energy transport via oligomeric
chains, we performed measurements of the transport in compounds featuring long alkyl …
chains, we performed measurements of the transport in compounds featuring long alkyl …
Automated multiconformer model building for X-ray crystallography and cryo-EM
In their folded state, biomolecules exchange between multiple conformational states that are
crucial for their function. Traditional structural biology methods, such as X-ray …
crucial for their function. Traditional structural biology methods, such as X-ray …
Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence from Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation …
A Ohler, PE Taylor, JA Bledsoe, AT Iavarone… - ACS …, 2024 - ACS Publications
The oxidation of polyunsaturated fatty acids by lipoxygenases (LOXs) is initiated by a C–H
cleavage step in which the hydrogen atom is transferred quantum mechanically (ie, via …
cleavage step in which the hydrogen atom is transferred quantum mechanically (ie, via …