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Crystallography (3):
Recent article
Crystallography
Abstract
We present six design rules that can be used to deliberately prepare nine distinct colloidal crystal structures, with control over lattice parameters on the 25- to 150-nanometer length scale. These design rules outline a strategy to independently adjust each of the relevant crystallographic paramete...
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PMID: 21998382
PDF is available here.
PDF is available here.
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Biochimica et Biophysica Acta (1814)6 2011
Abstract
We present the first structural characterization of a group II 2/2Hb from the soil and phytopathogenic bacterium Agrobacterium tumefaciens (At-2/2HbO). The crystal structure of ferric At-2/2HbO (reported at 2.1 Å resolution) shows the location of specific/unique heme distal site residues (e.g. His(...
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PMID: 21070893
PDF is available here.
PDF is available here.
Abstract
The biosyntheses of oligosaccharides and glycoconjugates are conducted by glycosyltransferases. These extraordinarily diverse and widespread enzymes catalyze the formation of glycosidic bonds through the transfer of a monosaccharide from a donor molecule to an acceptor molecule, with the stereochemi...
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PMID: 21301100
PDF is available here.
PDF is available here.
Abstract
The aim of this study was to characterize, in vitro, the mode of action of calcium sodium phosphosilicate (NovaMin) in occluding dentin tubules for the purpose of treating dentin hypersensitivity.
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PMID: 21905399
PDF is available here.
PDF is available here.
Abstract
To characterize in vitro the formation and robustness of a layer formed on dentin following treatment with a fluoridated toothpaste containing calcium sodium phosphosilicate (NovaMin) using modem imaging and analysis techniques.
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PMID: 21905400
PDF is available here.
PDF is available here.
Abstract
We review the structural biology of the chaperone-usher pathway that has helped to understand the mechanisms by which biogenesis of an important class of bacterial organelles occurs....
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PMID: 21557063
PDF is available here.
PDF is available here.
Abstract
Both Gram-negative and Gram-positive pathogens display a multitude of proteins and protein assemblies (pili or fimbriae) on their cell surfaces, which are often used for adherence and initiate colonization and pathogenesis. Adhesive proteins known as MSCRAMMs (microbial surface components recognizing...
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PMID: 21557064
PDF is available here.
PDF is available here.
Abstract
A novel metal-organic replica of α-PbO(2) exhibits high capacity for capture of nerve agent surrogate.
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PMID: 21138256
PDF is available here.
PDF is available here.
Abstract
Abstract
An efficient enzymatic synthesis of 6-chloropurine-2'-deoxyriboside from the reaction of 6-chloropurine with 2'-deoxycytidine catalyzed by nucleoside-2'-deoxyribosyltransferase (E.C. 2.4.2.6) followed by chemical conversion into the 5'-dimethoxytrityl 3'-(2-cyanoethyl-N,N-diisopropyl...
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PMID: 21128170
PDF is available here.
PDF is available here.
Dental Materials Journal (29)4 2010
Abstract
Hydroxyapatite formation was examined at the surface of self-assembled monolayers (SAMs) modified with four functional groups, -COOH, -NH(2), -CH(3), and -OH. For COOH-SAM and NH(2)-SAM, scanning electron spectroscopic observation showed that flake-like sheet crystals covered the whole wafer and sma...
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PMID: 20657151
PDF is available here.
PDF is available here.
Abstract
The protein Sgf29 has been identified as a subunit of the SAGA (Spt-Ada-Gcn5 acetyltransferase) histone acetyltransferase complex in Saccharomyces cerevisiae, which is conserved from yeast to humans. The tandem tudor domain at the C-terminus of Sgf29 was crystallized using the hanging-drop vapour-di...
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PMID: 20693663
PDF is available here.
PDF is available here.
Abstract
Outer membrane protein A (OmpA) of enterohaemorrhagic Escherichia coli (EHEC) plays multiple roles in bacterial physiology and pathogenesis, such as mediation of bacterial conjunction, maintenance of cell shape, induction of adhesion of EHEC to host cells etc. Better understanding of the functions o...
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PMID: 20693671
PDF is available here.
PDF is available here.
Journal of Endodontics (36)8 2010
Abstract
This study indicated that storage temperature might influence surface hardness and microstructure of WMTA.
Copyright 2010 American Association of Endodontists. Published by Elsevier Inc. All rights reserved....
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PMID: 20647108
PDF is available here.
PDF is available here.
Abstract
Preterm children with very low birth weight suffer from several neonatal and postnatal complications that may affect the mineralization of teeth. Clinical and morphological studies have shown enamel aberrations in teeth from preterm children. In this study, the chemical composition in enamel and den...
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PMID: 20662913
PDF is available here.
PDF is available here.
Abstract
Abstract
We therefore explored the use of molecular mechanics for constructing rotamer libraries for non-natural foldamer backbones. We first evaluated the accuracy of molecular mechanics (MM) for the prediction of rotamer probability distributions in the crystal structures of proteins is explored. The van d...
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PMID: 20446685
PDF is available here.
PDF is available here.
Abstract
We had previously reported. The characterization techniques used were single crystal and powder X-ray diffraction, differential scanning calorimetry, thermogravimetry analysis and infrared and (13)C solid-state nuclear magnetic resonance spectroscopy. The results obtained from these techniques are c...
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PMID: 20214961
PDF is available here.
PDF is available here.
Abstract
We therefore soaked selenate into two different types of RNA crystals and used the anomalous signal from these anions to identify binding sites in these RNA molecules unambiguously. Examination of these sites and comparison with other suspected anion binding sites reveals features of anion binding m...
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PMID: 20410239
PDF is available here.
PDF is available here.
Abstract
We identify PF-3758309, a potent (K(d) = 2.7 nM), ATP-competitive, pyrrolopyrazole inhibitor of PAK4. In cells, PF-3758309 inhibits phosphorylation of the PAK4 substrate GEF-H1 (IC(50) = 1.3 nM) and anchorage-independent growth of a panel of tumor cell lines (IC(50) = 4.7 +/- 3 nM). The molecular un...
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PMID: 20439741
PDF is available here.
PDF is available here.
Abstract
We describe a strategy by which reactive binding of a weakly bound, 'dynamically docked (DD)' complex without a known structure can be strengthened electrostatically through optimized placement of surface charges, and discuss its use in modulating complex formation between myoglobin (Mb) and cytochro...
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PMID: 20392066
PDF is available here.
PDF is available here.
Abstract
We have shown the first structurally characterized end-on chromium(III)-superoxo complex, [Cr(III)(14-TMC)(O(2))(Cl)](+), which was synthesized by reacting [Cr(II)(14-TMC)(Cl)](+) with O(2). The Cr(III)-superoxo intermediate has shown reactivities in C-H cleavage of alkylaromatics via a H-atom abstr...
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PMID: 20392047
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (130)5 2010
Abstract
Ibaraki Prefectural Government together with Ibaraki University and Japan Atomic Energy Agency (JAEA) has almost finished constructing a time-of-flight (TOF) neutron diffractometer for biological macromolecules for industrial use at J-PARC, IBARAKI Biological Crystal Diffractometer (iBIX). Since 200...
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PMID: 20460861
PDF is available here.
PDF is available here.
Abstract
We believe the new force field is useful in understanding the structure-property relationships for MOFs, and the approach can be extended to other MOFs....
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PMID: 20424876
PDF is available here.
PDF is available here.
Abstract
We highlight recent developments and inventions made by introducing the fourth dimension of time in electron microscopy. Today, ultrafast electron microscopy (4D UEM) enables a resolution that is 10 orders of magnitude better than that of conventional microscopes, which are limited by the video-came...
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PMID: 20378810
PDF is available here.
PDF is available here.
Abstract
The use of bifunctional catalysts in organic synthesis finds inspiration in the selectivity of enzymatic catalysis which arises from the specific interactions between basic and acidic amino acid residues and the substrate itself in order to stabilize developing charges in the transition state. Many...
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PMID: 20428026
PDF is available here.
PDF is available here.
Abstract
SAR exploration from an initial hit, (S)-N-(2-cyclohexenylethyl)-2-fluoro-6-(2-(1-hydroxy-3-phenylpropan-2-ylamino)-2-oxoethoxy)benzamide (1), identified using our proprietary automated ligand identification system (ALIS),(1) has led to a novel series of selective hepatitis C virus (HCV) NS5B polyme...
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PMID: 20219368
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (130)2 2010
Abstract
We introduce the first molecular model for this remarkable biological phenomenon. The structure of H(+),K(+)-ATPase at 6.5 A resolution was determined by electron crystallography of two-dimensional crystals. The structure shows the catalytic alpha-subunit and the non-catalytic beta-subunit in a pseu...
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PMID: 20118644
PDF is available here.
PDF is available here.
Abstract
We report crystal structures for three distinct Ca(2+) binding states of CBD1 from CALX, a Na(+)/Ca(2+) exchanger found in Drosophila sensory neurons. The fully Ca(2+)-bound CALX-CBD1 structure shows that four Ca(2+) atoms bind at identical Ca(2+) binding sites as those found in NCX1 and that the pa...
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PMID: 19815561
PDF is available here.
PDF is available here.
Abstract
We describe the fundamental steps in identifying both large and ordered, as well as small 2D arrays, that can potentially supply critical information for optimization of crystallization conditions. By working with different magnifications at the EM, data on a range of critical parameters is obtained...
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PMID: 21085097
PDF is available here.
PDF is available here.
Abstract
We describe protocols for reconstituting purified GPCRs in LCP, performing pre-crystallization assays, setting up crystallization trials in manual mode, detecting crystallization hits, optimizing crystallization conditions, harvesting, and collecting crystallographic data The protocols provide a sen...
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PMID: 20665265
PDF is available here.
PDF is available here.
Abstract
Surface imaging showed the dentifrice had coated the treated sample. Sub-surface information gained by preparing longitudinal cross-sections of the treated samples showed the tubule openings to be plugged, and EDX mapping of the cross-section confirmed enhanced strontium levels within the tubules se...
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PMID: 20669814
PDF is available here.
PDF is available here.
Biochemical Journal (427)3 2010
Abstract
Our data point strongly to a likelihood that glutamate-haem linkages are disfavoured in this most catalytically efficient P450, possibly due to the absence of a methylene radical species during catalysis....
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PMID: 20180779
PDF is available here.
PDF is available here.
Abstract
TEM image processing tools are devised for the assessment of 2D-crystallization experiments. The algorithms search for the presence and assess the quality of crystalline membranes. The retained scenario emulates the decisions of a microscopist in selecting targets and assessing the sample. Crystalli...
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PMID: 20865516
PDF is available here.
PDF is available here.
Abstract
This in-vitro study was conducted to evaluate the strength and properties of Type III and Type IV gypsum mixed with disinfectant solutions.
Type III and Type IV gypsum were used for the study. Three different mixing solutions namely waterqueous solutions of 0.525% sodium hypochlorite and 2% glutaral...
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PMID: 20930348
PDF is available here.
PDF is available here.
Journal of Virology (84)2 2010
Abstract
We introduced two mutations into 4E10 Fv constructs, Trp to Ala at position 100 in the heavy chain [W(H100)A] and Gly to Glu at position 50 in the light chain [G(L50)E], selected to disrupt potential lipid interactions via different mechanisms. Wild-type and mutant Fvs all bound with the same affini...
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PMID: 19906921
PDF is available here.
PDF is available here.
l Orthodontie Française (80)4 2009
Abstract
Versicherungsmedizin / herausgegeben von Verband der Lebensversicherungs-Unternehmen e.V. und Verband der Privaten Krankenversicherung e.V (61)4 2009
Abstract
Abstract
We describe herein the synthesis and evaluation of these structural variants as potent inhibitors of gelatinases. Two (compounds 5b and 5d) among the four synthetic stereoisomers were found to exhibit slow-binding inhibition of gelatinases and MMP-14 (MT1-MMP), which is a hallmark of the mechanism o...
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PMID: 19824893
PDF is available here.
PDF is available here.
The Journal of Chemical Physics (131)12 2009
Abstract
A method is presented that combines femtosecond polarization resolved UV/visible pump-IR probe spectroscopy and density functional theory calculations in determining the three-dimensional orientation of an electronic transition dipole moment (tdm) within the molecular structure. The method is demons...
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PMID: 19791898
PDF is available here.
PDF is available here.
Abstract
The deposits were absent in the surface epithelium and basal cells of the central cornea before and after treatment. We found crystals mainly in the anterior and medium stroma; they had various shapes; were intracellular, rectangular, or fusiform; and showed hyperreflectivity. The posterior stroma s...
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PMID: 19654516
PDF is available here.
PDF is available here.
Abstract
Metalloaminopeptidases (mAPs) are enzymes that are involved in HIV infectivity, tumor growth and metastasis, angiogenesis, and bacterial infection. Investigation of structure-function relationships in mAPs is a prerequisite to rational design of anti-mAP chemotherapeutics. The most intensively studi...
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PMID: 19233285
PDF is available here.
PDF is available here.
Abstract
Journal of Biological Chemistry (284)27 2009
Abstract
We analyze the essential factors governing the quaternary structure stability for human c-NADP-ME and m-NAD(P)-ME. Site-directed mutagenesis at the dimer and tetramer interfaces was employed to generate a series of dimers of c-NADP-ME and m-NAD(P)-ME. Size distribution analysis demonstrated that hum...
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PMID: 19416979
PDF is available here.
PDF is available here.
Journal of Biological Chemistry (284)27 2009
Abstract
We propose that upon deprotonation, the conformation of Glu(61) is changed to another rotamer and becomes fully exposed to the periphery of the ring. Reprotonation of Glu(61) by a conserved arginine in the adjacent a subunit returns the carboxylate to its initial conformation....
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PMID: 19423706
PDF is available here.
PDF is available here.
Nanotechnology (20)21 2009
Abstract
Reciprocal space mapping with a two-dimensional (2D) area detector in a grazing incidence geometry was applied to determine crystallographic orientations of GaN nanostructures epitaxially grown on a sapphire substrate. By using both unprojected and projected reciprocal space mapping with a proper co...
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PMID: 19423942
PDF is available here.
PDF is available here.
Dental Materials Journal (28)3 2009
Abstract
The purpose of the study was to investigate the effects of a K2SO4 solution on the improvement of the properties of an experimental magnesia-based gypsum-bonded investment. The characteristics of the experimental investment with different ratios of a K2SO4 solution were as follows: setting time rang...
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PMID: 19662729
PDF is available here.
PDF is available here.
Abstract
Applied Optics (48)11 2009
Abstract
We develop a method based on the temporal waveform and the impulse response of a sample to map the anisotropy of their inner structure. To validate our algorithm, we study the polarization-affecting structure of various classes of materials such as crystals, plastics, and natural products. Among all...
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PMID: 19363540
PDF is available here.
PDF is available here.
Abstract
We derived sequence motifs for the V3 loop epitopes recognized by the human monoclonal antibodies (mAbs) 447-52D and 2219. Searching the HIV database for the occurrence of each epitope motif in worldwide viruses and correcting the results based on published WHO epidemiology reveal that the 447-52D e...
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PMID: 19320565
PDF is available here.
PDF is available here.
Abstract
The use of NCCT will allow predicting stone composition and fragility....
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PMID: 19542594
PDF is available here.
PDF is available here.
Dental Materials (25)3 2009
Abstract
Lithium inhibited calcium phosphate deposition in a dose-dependent manner. Both crystallinity and thickness of the coatings were reduced with increasing lithium concentration in the electrolyte. The incorporation of lithium was 2.2 and 5.5microg/mg, respectively. The hybrid coatings demonstrated a b...
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PMID: 18804857
PDF is available here.
PDF is available here.
Abstract
We explore the applicability of an additive treatment of substituent effects to the analysis and design of HIV protease inhibitors. Affinity data for a set of inhibitors with a common chemical framework were analyzed to provide estimates of the free energy contribution of each chemical substituent....
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PMID: 19193159
PDF is available here.
PDF is available here.
Abstract
Human NFU (also known as HIRIP5) has been implicated in cellular iron−sulfur cluster biosynthesis. Bacterial and yeast forms are smaller than the human protein and are homologous to the C-terminal domain of the latter. This C-terminal domain contains a pair of redox active cysteines and demonstrate...
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PMID: 19146390
PDF is available here.
PDF is available here.
Abstract
We propose an efficient data structure that uses a three-dimensional array to store the atoms' position. We compare the proposed data structure with one of the best known general data structures for this type of problems (SAT tree) and with the naive approach. While the naive approach takes linear t...
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PMID: 19226660
PDF is available here.
PDF is available here.
Abstract
We have now studied the complex between human MSP and CRISP-3 with multidimensional NMR. 15N-HSQC spectra show substantial differences between free and complexed hMSP. Using several 3D-NMR spectra of triply labeled hMSP in complex with a recombinant N-terminal domain of CRISP-3, most of the backbone...
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PMID: 19026612
PDF is available here.
PDF is available here.
Abstract
We generated a library of 4-substituted azabicyclo[5.3.0]alkane Smac-mimetics. Here we report the crystal structure of the BIR3 domain from XIAP in complex with Smac037, a compound designed according to structural principles emerging from our previously analyzed XIAP BIR3/Smac-mimetic complexes. In...
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PMID: 18992220
PDF is available here.
PDF is available here.
Ultrasonics (49)1 2009
Abstract
Resonant ultrasound spectroscopy (RUS) is capable of determining the bulk elastic properties of a solid from its characteristic vibration frequencies, given the dimensions, density and shape of the sample. The model used for extracting values of the elastic constants assumes perfect homogeneity, whi...
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PMID: 18804831
PDF is available here.
PDF is available here.
Abstract
Neutron scattering and diffraction provide detailed information on the structure and dynamics of biological materials across time and length scales that range from picoseconds to nanoseconds and from 1 to 10,000 A, respectively. The particular sensitivity of neutrons to the isotopes of hydrogen make...
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PMID: 19488706
PDF is available here.
PDF is available here.
Optics Express (17)1 2009
Abstract
We present a continuous-wave (cw) singly-resonant optical parametric oscillator (SROPO) based on MgO-doped periodically poled lithium niobate (PPLN) delivering single-frequency idler output from 2.33 to 5.32 microm. In this system, we observe additional spectral components that have been attributed...
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PMID: 19129876
PDF is available here.
PDF is available here.