Results 11 to 20 of about 693 (91)
Aluminum–silicon adducts of NHC‐phosphinidenides are synthesized and structurally characterized. Their bonding and electronic structures are compared with those of isosteric NHC‐disilylsilylene complexes by DFT, NBO, and QTAIM analyses, highlighting the interplay of covalent versus coordinative interactions and emphasizing the significance of ...
Jayeeta Bhattacharjee +3 more
wiley +1 more source
50th anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative
We provide a historical introduction and our thoughts on the current trends including some based on papers in this special issue of Journal of Synchrotron Radiation celebrating the 50th Anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative led by Keith Hodgson.We provide a historical introduction spanning the ...
John R. Helliwell +2 more
wiley +1 more source
In its wild‐type form, the flexible two‐domain protein InlB392 yielded poorly reproducible crystals that diffracted to low resolution. Single surface substitutions to tyrosine (T336Y) or glutamate (V333E) yielded well diffracting crystals, suggesting that surface properties, rather than interdomain flexibility, might be the primary impediment to ...
Christina Geerds, Hartmut H. Niemann
wiley +1 more source
Crystal structure of Methanococcus jannaschii dihydroorotase with substrate bound
We present the 1.87 Å resolution structure of M. jannaschii dihydroorotase complexed with the substrate carbamoyl aspartate at room temperature. Contrary to expectations, a flexible loop which is important in catalysis and closes upon substrate binding in order to stabilize the substrate and transition state is observed in both the loop‐out and loop‐in
Jacqueline Vitali +3 more
wiley +1 more source
A subtle hydrogen‐bonding lock enables the unequivocal structural differentiation between fluoride and hydroxide in the unusual couple of homologous organogold(III) complexes [PPh4][(CF3)3AuF] and [PPh4][(CF3)3Au(OH)] (see adjacent figure). The homologous fluoride and hydroxide complexes of gold(III) [PPh4][(CF3)3AuX] [X = F (1), OH (2)] have been ...
Alberto Pérez‐Bitrián +5 more
wiley +1 more source
Series of Microporous Redox‐Active Pillared Metal–Organic Frameworks Based On Alloxazine Ligands
Two series of robust pillared metal–organic frameworks using a redoactive ligand based on alloxazine and transition metals have been evidenced by XRD. The compounds have high decomposition temperatures, and their sorption properties are measured, revealing relatively low surface areas and a moderate uptake of CO2 and C2H4 at high pressures.
Jaison Casas +5 more
wiley +1 more source
Triple Calcium Binding Stoichiometry in the Monoclinic Crystal Form of Protracted Insulin
Crystallographic analyses reveal insulin hexamers coordinated by three Ca2+ ions within the GluB13 cavity, visualized in monoclinic crystals at cryogenic and ambient conditions. This unique binding stabilizes the R6 state through inter‐subunit coordination while preserving canonical Zn2+–HisB10 interactions.
Esra Ayan +9 more
wiley +1 more source
Crystal structure analysis of van der Waals layered phosphorus chalcogenide CuVP2S6
Two‐dimensional van der Waals layered compound CuVP2S6 is studied by transmission electron microscopy and single‐crystal X‐ray diffraction. Rotational microtwin structures, which may be typical and characteristic of two‐dimensional van der Waals compounds, are observed.The crystal structure of CuVP2S6 is investigated by transmission electron microscopy
Nur Farhana Hasmuni +6 more
wiley +1 more source
Completion of partial structures using Patterson maps with the CrysFormer machine‐learning model
We integrate existing machine learning‐based protein structure‐prediction methods with X‐ray crystallography by completing partial structures derived from AlphaFold predictions and the corresponding Patterson map information. The CrysFormer results are promising when applied to an initial data set of 15‐residue fragments in P21 unit cells.Protein ...
Tom Pan +4 more
wiley +1 more source
Asymmetric Ligand Field Effects in Electron‐Rich Heterometallic Extended Metal Atom Chain Compounds
Synthesis of multimetallic compounds with modifiable scaffolding ligands raises questions about the distribution of electronic effects in heterometallic systems. Here we investigate the asymmetry of the substituent effects in a modified 2,2′‐dipyradylamine ligand applied to a heterotrimetallic extended metal atom chain (HEMAC) framework.
Rebecca K. Walde +4 more
wiley +1 more source

