No abstract available

No abstract available

[en] The author is interested in developing ideas and procedures whereby the process of structural elucidation by means of NMR spectroscopy are considered. In this paper he demonstrates how it is possible to construct a structural elucidation argument for a reasonable complex molecule without having to invent 'candidate structures' or refer to a 'working structure'. (A.S.). 36 refs.; 6 figs

[en] The crystal structure of the BVU2987 gene product from B. vulgatus (UniProt A6L4L1) reveals that members of the new Pfam family PF11396 (domain of unknown function; DUF2874) are similar to β-lactamase inhibitor protein and YpmB. Proteins that contain the DUF2874 domain constitute a new Pfam family PF11396. Members of this family have predominantly been identified in microbes found in the human gut and oral cavity. The crystal structure of one member of this family, BVU2987 from Bacteroides vulgatus, has been determined, revealing a β-lactamase inhibitor protein-like structure with a tandem repeat of domains. Sequence analysis and structural comparisons reveal that BVU2987 and other DUF2874 proteins are related to β-lactamase inhibitor protein, PepSY and SmpA-OmlA proteins and hence are likely to function as inhibitory proteins

[en] Short communication

[en] The structure and solvent interactions of malate dehydrogenase from Halobacterium marismortui in multimolar KCl solvents are found to be similar to those in multimolar NaCl solvents reported previously (G. Zaccai, E. Wachtel and H. Eisenberg, J. Mol. Biol. 190 (1986) 97). KCl rather than NaCl is predominant in physiological medium. At salt concentrations up to about 3.0 M, the protein (a dimer of M 87000 g/mol) can be considered to occupy an invariant volume in which it is associated with about 4100 molecules of water and about 520 molecules of salt. At very low resolution, the enzyme particle appears to have a compact protein core and protruding protein parts in interaction with the water and salt components, structural features that are not observed in non-halophilic mitochondrial malate dehydrogenase. The above conclusions were drawn from the analysis of neutron scattering and ultracentrifugation data, and the complementarity of these approaches is discussed extensively. 24 refs.; 7 figs.; 4 tabs

[en] Short communication. 2 refs

[en] It is dealt with the benzene molecule in which a single H atom is substituted by an X group (X=F, Cl, Br, I, CH₃, C₂H₅, OH, OCH₃, NH₂, NHCH₃, N(CH₃)₂). In this way the changes in the electron affinity are followed as the symmetry of the benzene ring changes and also as a function of the effect of the various substituents on the energies of the lowest unfilled π* orbitals of the benzene ring

[en] Electron microprobe analysis, Moessbauer spectra and X-ray diffraction on polished slices reveal that the major part of the Santa-Catharina meteorite is constituted by the ordered alloy (superstructure) Fe-Ni 50-50

[en] In this study, the crystal structure and molecular conformation of 1-butyl-3-cyano-4-methyl-5- (2-thiazolylhydrazone) pyridine-2.6-dione (C₁₄H₁₅N₅O₂S) has been determined from X-ray diffraction data. Monoazo disperse dyes. such as (C₁₄H₁₅N₅O₂₅S), are widely used in the textile industry as synthetic coloring materials. The unit cell parameters were obtained from photographic data and it was found that the crystal belongs to P1- space group of the tricilinic system. Intensity date were collected on an Enraf-Nonius CAD4 diffractometer equipped with MoKa radiation. The structure was solved by direct methods using SIMPELBB and refined by full-matrix least squares in the MolEN software. Some crystal data were determined. As the result of our structure analysis, it was shown that the structure has hydrazone tautomer form and there is a hydrogen bond between the nitrogen atom N4 and the 6-oxo group (NH...O = 2.53 A angstrom) molecular geometry was defined by PARSTBS and it was seen that the skeleton of the molecule is almost planar with te exception of butyl group