Ethyl 3-methyl-1-oxo-4H-1,4-benzothiazine-2-carboxylate monohydrate
IUCrData, 2018 The organic molecule in the title hydrate, C12H13NO3S·H2O, is folded across the S...N vector. Chains two molecules thick extending along the a-axis direction are formed by N—H...O and O—H...O hydrogen bonds.
Yamna Baryala +5 more
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N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-glutamic acid: a three-dimensional framework structure built from O-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds [PDF]
, 2003 The title compound, C10H13N5O6, exhibits a highly polarized molecular-electronic structure and the conformation is influenced by two intramolecular N-H...O hydrogen bonds.
Mascaros, P A +3 more
core +1 more source
FEBS Open Bio, EarlyView.14‐day casting‐induced immobilization reduced gastrocnemius muscle mass and increased non‐heme iron and ferritin heavy chain levels. Despite iron accumulation, transferrin receptor 1 and iron regulatory protein 2 were paradoxically upregulated. Lipid peroxidation was elevated without compensatory antioxidant responses.
Haruka Yokogawa +2 more
wiley +1 more source
Crystal structure of N-(quinolin-6-yl)hydroxylamine
Acta Crystallographica Section E, 2014 The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linked via one O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit.
Anuruddha Rajapakse +5 more
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Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function
FEBS Open Bio, EarlyView.We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke +4 more
wiley +1 more source
2-Amino-4-methylpyridin-1-ium 2-(4-nitrophenyl)acetate
IUCrData, 2016 In the title molecular salt, C6H9N2+·C8H6NO4−, the cation is protonated at its pyridine N atom. In the crystal, the anion and cation are connected by weak N—H...O hydrogen bonds, generating an R22(8) ring motif. A pair of N—H...O hydrogen bonds and a C—H.
P. Sivakumar +3 more
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FEBS Open Bio, EarlyView.Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young +7 more
wiley +1 more source
2-Aminopyrimidinium hydrogen sulfate
Acta Crystallographica Section E, 2011 In the crystal structure of the title compound, C4H6N3+·HSO4−, hydrogen sulfate anions self-assemble through O—H...O hydrogen bonds, forming chains along the b axis, while the cations form centrosymmetric pairs via N& ...
Adel Elboulali +3 more
doaj +1 more source
Computational Analyses of Protein-Ligand Interactions [PDF]
, 2010 Protein-ligand interactions have a central role in all processes in living systems. A comprehensive understanding of protein interactions with small molecules is of great interest as it provides opportunities for understanding protein function and ...
Haider, Kamran
core
Reinvestigation of the crystal structure of N-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H⋯N, O—H⋯O and C—H⋯π(arene) hydrogen bonds [PDF]
, 2018 The molecule of the title compound, C13H10ClNO, (I), which contains an intramolecular O—H⋯N hydrogen bond, is almost planar: the dihedral angle between the two aryl rings is only 3.31 (9)°.
Rathore, Ravindranath S. +10 more
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