Carbon-oxygen hydrogen bonding in biological structure and function

S Horowitz, RC Trievel - Journal of Biological Chemistry, 2012 - ASBMB
Carbon-oxygen (CH··· O) hydrogen bonding represents an unusual category of molecular
interactions first documented in biological structures over 4 decades ago. Although CH··· O …

Metals in protein structures: a review of their principal features

MM Harding, MW Nowicki… - Crystallography …, 2010 - Taylor & Francis
Metals are present in more than one-third of all proteins as they occur in nature, and are
usually important in biological function or maintenance of the structure. Some are present as …

Joint X-ray and neutron refinement with phenix. refine

PV Afonine, M Mustyakimov… - … Section D: Biological …, 2010 - journals.iucr.org
Approximately 85% of the structures deposited in the Protein Data Bank have been solved
using X-ray crystallography, making it the leading method for three-dimensional structure …

pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pK a measurements

G Platzer, M Okon, LP McIntosh - Journal of biomolecular NMR, 2014 - Springer
The p K a values and charge states of ionizable residues in polypeptides and proteins are
frequently determined via NMR-monitored pH titrations. To aid the interpretation of the …

Cation distribution in spinel ferrite nanocrystals: characterization, impact on their physical properties, and opportunities for synthetic control

KR Sanchez-Lievanos, JL Stair… - Inorganic Chemistry, 2021 - ACS Publications
Metal oxide materials that adopt the spinel crystal structure, such as metal ferrites (MFe2O4),
present tetrahedral (A) and octahedral [B] sublattice sites surrounded by oxygen anions that …

[PDF][PDF] Refinement of macromolecular structures against neutron data with SHELXL2013

T Gruene, HW Hahn, AV Luebben… - Journal of applied …, 2014 - journals.iucr.org
Some of the improvements in SHELX2013 make SHELXL convenient to use for refinement
of macromolecular structures against neutron data without the support of X-ray data. The …

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature

GJ Correy, DW Kneller, G Phillips, S Pant, S Russi… - Science …, 2022 - science.org
The nonstructural protein 3 (NSP3) macrodomain of severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2)(Mac1) removes adenosine diphosphate (ADP) ribosylation …

Halide perovskites and perovskite related materials for particle radiation detection

F Liu, R Wu, Y Zeng, J Wei, H Li, L Manna, AD Mohite - Nanoscale, 2022 - pubs.rsc.org
Radiation detectors are widely used in physics, materials science, chemistry, and biology.
Halide perovskites are known for their superior properties including tunable bandgaps and …

[HTML][HTML] Counterdiffusion methods applied to protein crystallization

F Otálora, JA Gavira, JD Ng, JM García-Ruiz - Progress in biophysics and …, 2009 - Elsevier
Accumulated experience during the last years on counterdiffusion crystallization methods
shows that they are a convenient and generally applicable way of optimizing solution crystal …

Where do the Fluorine Atoms Go in Inorganic‐Oxide Fluorinations? A Fluorooxoborate Illustration under Terahertz Light

C Shen, F Zhang, T Sasaki, C Eerdun… - Angewandte Chemie …, 2024 - Wiley Online Library
The substitution of fluorine atoms for oxygen atoms/hydroxyl groups has emerged as a
promising strategy to enhance the physical and chemical properties of oxides/hydroxides in …