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作者:Laurel Jones , Michael Tynes , Paul Smith
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.696-717IUCr
摘要:Current software tools for the automated building of models for macromolecular X-ray crystal structures are capable of assembling high-quality models for ordered macromolecule and small-molecule scattering components with minimal or no user supervision. Many of these tools also i...
作者:Petra Havlickova , Vitezslav Brinsa , Jiri Brynda ...
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.743-752IUCr
摘要:The haloacid dehalogenase (HAD) superfamily is one of the largest known groups of enzymes and the majority of its members catalyze the hydrolysis of phosphoric acid monoesters into a phosphate ion and an alcohol. Despite the fact that sequence similarity between HAD phosphat...
作者:Eiji Tamai , Seiichi Katayama , Hiroshi Sekiya ...
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.718-732IUCr
摘要:Pili in Gram-positive bacteria are flexible rod proteins associated with the bacterial cell surface, and they play important roles in the initial adhesion to host tissues and colonization. The pilus shaft is formed by the covalent polymerization of major pilins, catalyzed by...
作者:Julia J. Griese , Martin HÖgbom
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.764-771IUCr
摘要:Here, a method is described which exploits X-ray anomalous dispersion (XAD) to quantify mixtures of metal ions in the binding sites of proteins and can be applied to metalloprotein crystals of average quality. This method has successfully been used to study site-specific metal bi...
作者:Hsien Wei Yeh , Kuan Hung Lin , Syue Yi Lyu ...
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.733-742IUCr
摘要:p-Hydroxymandelate oxidase (Hmo) is a flavin mononucleotide (FMN)-dependent enzyme that oxidizes mandelate to benzoylformate. How the FMN-dependent oxidation is executed by Hmo remains unclear at the molecular level. A continuum of snapshots from crystal structures of Hmo and its...
作者:Grzegorz Chojnowski , Joana Pereira , Victor S. Lamzin
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.753-763IUCr
摘要:The performance of automated model building in crystal structure determination usually decreases with the resolution of the experimental data, and may result in fragmented models and incorrect side-chain assignment. Presented here are new methods for machine-learning-based dockin...
作者:Yajuan Li , Weihong Zeng , Yuelong Li ...
来源:[J].Acta Crystallogr D Struct Biol, 2019, Vol.75 (Pt 8), pp.772-781IUCr
摘要:CAMP factor is a unique Α-helical bacterial toxin that is known for its co-hemolytic activity in combination with staphylococcal sphingomyelinase. It was first discovered in the human pathogen Streptococcus agalactiae (also known as group B streptococcus), but homologous gen...
作者:Georgii Bogdanov , John P. Tillotson , Victor N. Khrustalev ...
来源:[J].Acta Crystallogr C Struct Chem, 2019, Vol.75 (Pt 8), pp.1175-1181IUCr
摘要:The synthesis, crystal structure studies and solvatochromic behavior of 2-{(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile, C 16 H 15 N 3 (DCV[3]), and 2-{(2E,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trien-1-ylidene}malononitrile, C 18 H 17 N 3...
作者:James Charles Truscott , Jeanet Conradie , Hendrik C. Swart ...
来源:[J].Acta Crystallogr C Struct Chem, 2019, Vol.75 (Pt 8), pp.1045-1052IUCr
摘要:Single crystals of the aluminium and gallium complexes of 6,6″-{(1E,1″E)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenol), namely diaqua(6,6″-{(1E,1″E)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ4O1,N,N″...
作者:Lei Jia , Jun Zhang , Lin Du
来源:[J].Acta Crystallogr C Struct Chem, 2019, Vol.75 (Pt 8), pp.1060-1064IUCr
摘要:The novel tetraphenylethylene derivative 4-methyl-N-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide (abbreviated as MTBF), C 33 H 27 NO 2 S, was synthesized successfully and characterized by single-crystal X-ray diffraction, high-resolution mass spectroscopy and 1H NMR ...

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