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Crystallography, X-Ray (0):
Recent article
Crystallography, X-Ray
Abstract
In the course of our search for novel secondary metabolites, the CHCl3-MeOH extract of the novel myxobacterial strain Sorangiineae SBNa008 was shown to be active against human SW480 colon adinocarcinoma cells. Bioassay-guided fractionation of the extract yielded a highly conjugated novel, sterol 9α,...
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PMID: 21513291
PDF is available here.
PDF is available here.
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Abstract
We describe structural and functional analyses of the Thermus thermophilus CRISPR Cse3 endonuclease. High-resolution X-ray structures of Cse3 bound to repeat RNAs model both the pre- and post-cleavage complexes associated with processing the pre-crRNA. These structures establish the molecular basis...
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PMID: 21572444
PDF is available here.
PDF is available here.
Abstract
We show that Cse3 type CRISPR-specific endoRNases bind a hairpin structure and residues downstream of the cleavage site within the repetitive segment of cognate CRISPR RNA. Cocrystal structures of Cse3-RNA complexes reveal an RNA-induced conformational change in the enzyme active site that aligns th...
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PMID: 21572442
PDF is available here.
PDF is available here.
Abstract
The structure of ent-copalyl diphosphate synthase reveals three α-helical domains (α, β and γ), as also observed in the related diterpene cyclase taxadiene synthase. However, active sites are located at the interface of the βγ domains in ent-copalyl diphosphate synthase but exc...
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PMID: 21602811
PDF is available here.
PDF is available here.
Abstract
We have discovered that the protein-protein interactions between bromodomains and acetylated histones can be antagonized by selective small molecules that bind at the acetylated lysine recognition pocket. X-ray crystal structures of compounds bound into bromodomains of Brd2 and Brd4 elucidate the mo...
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PMID: 21568322
PDF is available here.
PDF is available here.
Abstract
We determined three X-ray structures: R-HPP with inert cobalt-containing enzyme (Co(II)-HppE) at 2.1 Å resolution; R-HPP with active iron-containing enzyme (Fe(II)-HppE) at 3.0 Å resolution; and S-HPP-Fe(II)-HppE in complex with dioxygen mimic NO at 2.9 Å resolution. These structures, along with...
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PMID: 21682308
PDF is available here.
PDF is available here.
Abstract
The uniquely functionalized steroid-based cyclodimers 4, cis-5, and trans-5 have been synthesized and fully characterized.The cyclodimer 5, with a cis-trans ratio of 3:1, is obtained by coupling the terminal alkenes of two 4-pentenoate groups on a cyclodimer 4 via Grubbs' intramolecu...
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PMID: 21591628
PDF is available here.
PDF is available here.
Abstract
Volvalerelactones A and B (1 and 2), two new sesquiterpenoid lactones with an unprecedented 3/7/6 tricyclic ring system, were isolated from the roots of Valeriana officinalis var. latifolia. Their structures and relative configurations were elucidated by spectroscopic data and single...
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PMID: 21591723
PDF is available here.
PDF is available here.
Abstract
Water-binding foldamers have been rarely studied. By orienting both H-bond donors and acceptors toward their interior, two pyridine-derived crescent-shaped folding oligoamides were found to be capable of trapping both conventional and unconventional water dimer clusters in their cavi...
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PMID: 21591725
PDF is available here.
PDF is available here.
Abstract
Two novel polyketides, simplextones A (1) and B (2), were isolated from the sponge Plakortis simplex. Their structures were established by spectroscopic methods. The absolute configurations were assigned by modified Mosher's method, X-ray crystallographic analysis, and quantum mechan...
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PMID: 21604759
PDF is available here.
PDF is available here.
Abstract
We reconstituted duplex siRNA-initiated RISC activity using recombinant human Ago2 (hAgo2) and C3PO, indicating that C3PO has a critical role in hAgo2-RISC activation. Consistently, genetic depletion of C3PO compromised RNA silencing in mammalian cells. We determined the crystal structure of hC3PO,...
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PMID: 21552258
PDF is available here.
PDF is available here.
Abstract
The combination of Fe(OTf)(2) and novel phenanthroline ligands enables the catalytic asymmetric epoxidation of acyclic β,β-disubstituted enones, which have been a heretofore inaccessible substrate class. The reaction provides highly enantioenriched α,β-epoxyketones (up to 92% ee) that can be furt...
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PMID: 21553923
PDF is available here.
PDF is available here.
Abstract
The designed synthesis and structural characterization of two metal cluster-centered metallosupramolecular architectures are reported. In complex [(CF(3)SO(3))Ag(4)((t)BuC≡C)(Py8)](CF(3)SO(3))(2) (1) and [(CF(3)SO(3))Ag(4){C≡C-(m-C(6)H(4))-C≡C-(m-C(6)H(4))-C≡C-(m-C(6)H(4))-C≡C}Ag(4)(CF(3)SO...
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PMID: 21561074
PDF is available here.
PDF is available here.
Abstract
We report the development of ruthenium-based metathesis catalysts with chelating N-heterocyclic carbene (NHC) ligands that catalyze highly Z-selective olefin metathesis. A very simple and convenient procedure for the synthesis of such catalysts has been developed. Intramolecular C-H bond activation o...
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PMID: 21563826
PDF is available here.
PDF is available here.
Abstract
We performed both crystallography under a large range of gas pressure and biochemical studies on urate oxidase, a prototype of globular gas-binding proteins whose activity is modulated by inert gases. We show that Xe and N(2)O bind to, compete for, and expand the volume of a hydrophobic cavity locat...
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PMID: 21421845
PDF is available here.
PDF is available here.
Abstract
We replaced conserved residues at the dimer interface to design a heterodimer with increased stability. One E2R mutant in which histidine was replaced by a glutamate residue showed preferential heterodimer formation in vitro, as well as an increase in plasticity at the interface, as a result of hist...
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PMID: 21482558
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1814)8 2011
Abstract
Xenobiotica (41)5 2011
Abstract
Phase II of the Protein Structure Initiative, funded by the NIH NIGMS (National Institute of General Medical Sciences), is a 5-year effort to determine thousands of protein structures. The New York SGX Research Center for Structural Genomics (NYSGXRC) is one of the four large-scale production center...
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PMID: 18542890
PDF is available here.
PDF is available here.
Xenobiotica (41)5 2011
Abstract
Trace fluorescent labeling, typically less than 1%, can be a powerful aid in macromolecule crystallization. Precipitation concentrates a solute, and crystals are the most densely packed solid form. The more densely packed the fluorescing material, the brighter the emission from it; thus, fluorescenc...
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PMID: 18542877
PDF is available here.
PDF is available here.
Xenobiotica (41)5 2011
Abstract
Microfluidic technologies enable a relatively new approach to macromolecular crystallization, but offer several significant advantages over more traditional techniques. Microfluidic devices provide significant savings in the amount of material required to complete a set of experiments, although rece...
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PMID: 18542878
PDF is available here.
PDF is available here.
Abstract
Abstract
The complex molecular events responsible for coordinating chromosome replication and segregation with cell division and growth are collectively known as the cell cycle. Progression through the cell cycle is orchestrated by the interplay between controlled protein synthesis and degrad...
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PMID: 21092369
PDF is available here.
PDF is available here.
Abstract
Barley yellow dwarf virus (BYDV) RNA lacks a 5' m(7)GTP cap, yet it is translated efficiently because it contains a 105-base BYDV-like cap-independent translation element (BTE) in the 3' untranslated region (UTR). To understand how the BTE outcompetes the host mRNA for protein-synthe...
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PMID: 21543861
PDF is available here.
PDF is available here.
Abstract
We investigated the role of hydration in collagen recognition by bacterial adhesin CNA by means of first principle molecular-dynamics samplings. Our characterization of the hydration properties of the isolated partners highlights dewetting-prone areas on the surface of CNA that closely match the key...
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PMID: 21539794
PDF is available here.
PDF is available here.
Abstract
We present what we believe to be a novel procedure, based on combinations of multistep trajectories, that was used to estimate the binding free energy (ΔG) of each disaccharide. The computed binding free energy differences show excellent correlation with experimental values determined previously. T...
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PMID: 21539798
PDF is available here.
PDF is available here.