Results 131 to 140 of about 184,219 (281)

Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity

Frontiers in Molecular Biosciences
We report the biochemical, structural, and functional characterization of the protein coded by gene PA4880 in the P. aeruginosa PAO1 genome. The PA4880 gene had been annotated as coding a probable bacterioferritin.
Nimesha Rajapaksha, Huili Yao, Aisha Cook, Steve Seibold, Lijun Liu, Kevin P. Battaile, Leo Fontenot, Fabrizio Donnarumma, Scott Lovell, Mario Rivera   +9 more
doaj   +1 more source

Phase contrast imaging with a laboratory-based microfocus X-ray source [PDF]

, 2007
This project looks at the design of an in-line X-ray phase contrast imaging system, based around the Bede Microsource®, on a suitable scale for imaging small pathological samples. The system is applied to two test objects to assess feasibility of its use
Kelly, Kathryn L, Kelly, Kathryn L.
core  

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +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

X-ray absorption, refraction and resonant scattering tensors in selenated protein crystals: implications for data collection strategies in macromolecular crystallography

, 2005
Polarized fluorescence spectra were recorded in the vicinity of the Se and Br K edges on crystals of the selenated protein aldose reductase in complex with a brominated inhibitor molecule.
Schiltz, M., Bricogne, G., Capelli, SC, Pattison, P., Evans, G, Evans, G., Capelli, S. C., Schiltz, Marc, Pattison, Philip, Mitschler, André, Schiltz, M, Mitschler, A., Pattison, P, Capelli, Silvia C., Evans, Gwyndaf, Roversi, P., Mitschler, A, Bricogne, Gerard, Bricogne, G, Roversi, Pietro   +19 more
core   +1 more source

Catalytic Functionalization of Unactivated π‐Bonds Enabled by Bidentate Directing Auxiliaries

Angewandte Chemie, EarlyView.
This review explores how bidentate directing auxiliaries have advanced transition‐metal catalysis for unactivated alkene/alkyne functionalization. By leveraging chelated intermediates, bidentate directing auxiliaries enable precise hydrofunctionalization, difunctionalization, and C─H activation of π‐bonds with unique selectivity and reactivity.
Seunghyeon Cho, Al Vicente Riano D. Lisboa, Juntao Sun, Taeho Kang, Keary M. Engle   +4 more
wiley   +2 more sources

Pd/C‐Catalyzed Hydrogenation of CF3‐, CF2H‐, and CF2CO2Et‐containing Pyridines: A Robust Method for Highly Functionalized containing Piperidines

Angewandte Chemie, EarlyView.
A robust and efficient method to access diversely functionalized fluorinated piperidines was developed. The approach features the hydrogenation of polysubstituted pyridines bearing CF3, CF2H, and CF2CO2Et substituents using an inexpensive, readily available heterogeneous Pd/C catalyst under air‐ and moisture‐tolerant conditions, offering an appealing ...
Thibaud Charvillat, Patrick Bernardelli, Marc Daumas, Xavier Pannecoucke, Vincent Ferey, Hassan Oulyadi, Muriel Sebban, Tatiana Besset   +7 more
wiley   +2 more sources

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature

IUCrJ
Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a ...
Julian C.-H. Chen, Miroslaw Gilski, Changsoo Chang, Dominika Borek, Gerd Rosenbaum, Alex Lavens, Zbyszek Otwinowski, Maciej Kubicki, Zbigniew Dauter, Mariusz Jaskolski, Andrzej Joachimiak   +10 more
doaj   +1 more source

Systematic structural studies in metal complex chemistry [PDF]

, 1998
A procedure is presented for detecting geometrical preferences, deformations and interconversion pathways between different geometries for the transition metal coordination sphere ML(_n). A discrepancy index [R(_ang)(x)] was proposed initially to address
Yao, Jing Wen
core  

CSAKD: Determining Absolute Ligand Affinities From 19F NMR Chemical Shift Anisotropy

Angewandte Chemie, EarlyView.
Affinity determination is crucial in drug discovery, yet remains difficult for weakly binding fragments. We introduce chemical shift anisotropy KD$K_{\text{D}}$ (CSAKD) by 19F$^{19}{\rm F}$ NMR relaxation experiments, a titration‐free method that requires no isotopic labeling.
Simon H. Rüdisser, Gabriela Stadler, Alvar D. Gossert   +2 more
wiley   +2 more sources