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Full-Text Articles in Physical Sciences and Mathematics
Crystal Structures Of Dotma Chelates From Ce³+ To Yb³+ : Evidence For A Continuum Of Metal Ion Hydration States, Mark Woods, Katherine M. Payne, Edward J. Valente, Benjamin E. Kucera, Victor G. Young
Crystal Structures Of Dotma Chelates From Ce³+ To Yb³+ : Evidence For A Continuum Of Metal Ion Hydration States, Mark Woods, Katherine M. Payne, Edward J. Valente, Benjamin E. Kucera, Victor G. Young
Chemistry Faculty Publications and Presentations
The crystal structures of chelates formed between each stable paramagnetic lanthanide ion and DOTMA are described. A total of 23 individual chelates structures were obtained, in each chelate the coordination geometry around the metal ion is best described as a twisted square antiprism (torsion angle -25.0° – - 31.4°). Despite the uniformity of the general coordination geometry provided by the DOTMA ligand, there is a considerable variation in the hydration state of each chelate. The early Ln3+ chelates are associated with a single inner sphere water molecule, the Ln-OH2 interaction is remarkable for being very long. After a …
Protection Of The Queuosine Biosynthesis Enzyme Quef From Irreversible Oxidation By A Conserved Intramolecular Disulfide, Adeba Mohammad, Adriana Bon Ramos, Bobby W.K. Lee, Spencer William Cohen, Maryam K. Kiani, Dirk Iwata-Reuyl, Boguslaw Stec, Manal A. Swairjo
Protection Of The Queuosine Biosynthesis Enzyme Quef From Irreversible Oxidation By A Conserved Intramolecular Disulfide, Adeba Mohammad, Adriana Bon Ramos, Bobby W.K. Lee, Spencer William Cohen, Maryam K. Kiani, Dirk Iwata-Reuyl, Boguslaw Stec, Manal A. Swairjo
Chemistry Faculty Publications and Presentations
QueF enzymes catalyze the nicotinamide adenine dinucleotide phosphate (NADPH)-dependent reduction of the nitrile group of 7-cyano-7-deazaguanine (preQ0) to 7-aminomethyl-7-deazaguanine (preQ1) in the biosynthetic pathway to the tRNA modified nucleoside queuosine. The QueF-catalyzed reaction includes formation of a covalent thioimide intermediate with a conserved active site cysteine that is prone to oxidation in vivo. Here, we report the crystal structure of a mutant of Bacillus subtilis QueF, which reveals an unanticipated intramolecular disulfide formed between the catalytic Cys55 and a conserved Cys99 located near the active site. This structure is more symmetric than the substrate-bound structure and exhibits major rearrangement of …
Advances In Crystallographic Image Processing For Scanning Probe Microscopy, Peter Moeck, Taylor T. Bilyeu, A. Mainzer Koenig, Jack C. Straton
Advances In Crystallographic Image Processing For Scanning Probe Microscopy, Peter Moeck, Taylor T. Bilyeu, A. Mainzer Koenig, Jack C. Straton
Physics Faculty Publications and Presentations
Brief overview of advances in image processing for scanning probe microscopes, as related to high resolution images of crystals and arrays of membrane proteins.
3d Printing Of Crystallographic Models And Open Access Databases, Werner Kaminsky, Trevor J. Snyder, Peter Moeck
3d Printing Of Crystallographic Models And Open Access Databases, Werner Kaminsky, Trevor J. Snyder, Peter Moeck
Physics Faculty Publications and Presentations
Provides a brief overview of opportunities for crystallography allowed by the recent developments in 3D printing technology. in combination with open access databases.
Nanometrology Device Standards For Scanning Probe Mmicroscopes And Processes For Their Fabrication And Use, Peter Moeck
Nanometrology Device Standards For Scanning Probe Mmicroscopes And Processes For Their Fabrication And Use, Peter Moeck
Physics Faculty Publications and Presentations
Nanometrology device standards and methods for fabricating and using such devices in conjunction With scanning probe microscopes are described. The fabrication methods comprise: (1) epitaxial growth that produces nanometer sized islands of knoWn morphology, structural, morphological and chemical stability in typical nanometrology environments, and large height-to-width nano-island aspect ratios, and (2) marking suitable crystallographic directions on the device for alignment With a scanning direction.
Crystallography Open Database – An Open-Access Collection Of Crystal Structures, Saulius Grazulis, Daniel Chateigner, Robert T. Downs, A. F. T. Yokochi, Miguel Quirós, Luca Lutterotti, Elena Manakova, Justas Butkus, Peter Moeck, Armel Le Bail
Crystallography Open Database – An Open-Access Collection Of Crystal Structures, Saulius Grazulis, Daniel Chateigner, Robert T. Downs, A. F. T. Yokochi, Miguel Quirós, Luca Lutterotti, Elena Manakova, Justas Butkus, Peter Moeck, Armel Le Bail
Physics Faculty Publications and Presentations
The Crystallography Open Database (COD), which is a project that aims to gather all available inorganic, metal–organic and small organic molecule structural data in one database, is described. The database adopts an openaccess model. The COD currently contains 80,000 entries in crystallographic information file format, with nearly full coverage of the International Union of Crystallography publications, and is growing in size and quality.
Probing Reactivity And Substrate Specificity Of Both Subunits Of The Dimeric Mycobacterium Tuberculosis Fabh Using Alkyl-Coa Disulfide Inhibitors And Acyl-Coa Substrates, Sarbjot Sachdeva, Faik Musayev, Mamoun M. Alhamadsheh, J. Neel Scarsdale, H. Tonie Wright, Kevin A. Reynolds
Probing Reactivity And Substrate Specificity Of Both Subunits Of The Dimeric Mycobacterium Tuberculosis Fabh Using Alkyl-Coa Disulfide Inhibitors And Acyl-Coa Substrates, Sarbjot Sachdeva, Faik Musayev, Mamoun M. Alhamadsheh, J. Neel Scarsdale, H. Tonie Wright, Kevin A. Reynolds
Chemistry Faculty Publications and Presentations
The dimeric Mycobacterium tuberculosis FabH (mtFabH) catalyses a Claisen-type condensation between an acyl-CoA and malonyl-acyl carrier protein (ACP) to initiate the Type II fatty acid synthase cycle. To analyze the initial covalent acylation of mtFabH with acyl-CoA, we challenged it with mixture of C6-C20 acyl-CoAs and the ESI-MS analysis showed reaction at both subunits and a strict specificity for C12 acyl CoA. Crystallographic and ESI-MS studies of mtFabH with a decyl-CoA disulfide inhibitor revealed a decyl chain bound in acyl-binding channels of both subunits through disulfide linkage to the active site cysteine. These data provide the first unequivocal evidence that …
Antibacterial Targets In Fatty Acid Biosynthesis, H. Tonie Wright, Kevin A. Reynolds
Antibacterial Targets In Fatty Acid Biosynthesis, H. Tonie Wright, Kevin A. Reynolds
Chemistry Faculty Publications and Presentations
The fatty acid biosynthesis pathway is an attractive but still largely unexploited target for development of new anti-bacterial agents. The extended use of the anti-tuberculosis drug isoniazid and the antiseptic triclosan, which are inhibitors of fatty acid biosynthesis, validates this pathway as a target for anti-bacterial development. Differences in subcellular organization of the bacterial and eukaryotic multi-enzyme fatty acid synthase systems offer the prospect of inhibitors with host vs. target specificity. Platensimycin, platencin, and phomallenic acids, newly discovered natural product inhibitors of the condensation steps in fatty acid biosynthesis, represent new classes of compounds with antibiotic potential. An almost complete …
Image-Based Nanocrystallography With Online Database Support, Peter Moeck, Ján Zahornadsky, Boris Dusek
Image-Based Nanocrystallography With Online Database Support, Peter Moeck, Ján Zahornadsky, Boris Dusek
Physics Faculty Publications and Presentations
The crystallographic phase and morphology of many materials change with the crystal size so that new needs arise to determine the crystallography of nanocrystals. Direct space high-resolution phase-contrast transmission electron microscopy (HRTEM) and atomic resolution scanning TEM (STEM) when combined with tools for image-based nanocrystallography in two (2D) and three (3D) dimensions possess the capacity to meet these needs. After a concise discussion of lattice-fringe visibility spheres and maps, this paper discusses lattice-fringe fingerprinting in 2D and tilt protocol applications. On-line database developments at Portland State University (PSU) that support image-based nanocrystallography are also mentioned.
Bis(1h+-Pyrazinium N4-Oxide) Dichromate, Gary L. Gard, Roger D. Willett, W. W. Paudler, R. M. Sheets, Mark R. Pressprich
Bis(1h+-Pyrazinium N4-Oxide) Dichromate, Gary L. Gard, Roger D. Willett, W. W. Paudler, R. M. Sheets, Mark R. Pressprich
Chemistry Faculty Publications and Presentations
2C₄H₅N₂O⁺.Cr₂O²₇⁻, Mᵣ=410∙2, monoclinic, P2₁, a=8∙(2), b=6∙132 (2), c=14∙493 (4) Å, β=94∙50 (2)°, V=708∙8 (3) ų, Z=2, Dₓ=1∙92 g cm⁻³, Mο Κα, λ=0∙71069 Å, μ=15∙5 cm⁻¹, F(000)=412, T=293 K, R=0∙0602 for 1980 unique observed reflections with F≥3σ(F). The structure consists of discrete dinegative dichromate anions hydrogen bonded to monopositive pyrazinium N-oxide cations (N―H∙∙∙O=2∙724, 2∙644 Å). A strong hydrogen bond to the bridging O atom in the Cr₂O²₇⁻ anion leads to significant lengthening of the bridging Cr―O bonds. A short C―H∙∙∙O interaction (3∙180 Å) is also observed.