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Nuclear Magnetic Resonance, Biomolecular (0):
Recent article
Nuclear Magnetic Resonance, Biomolecular
Abstract
We therefore developed an efficient bacterial expression system to produce a panel of π-TRTX-Pc1a mutants for probing structure-activity relationships as well as isotopically labeled toxin for determination of its solution structure and dynamics. We demonstrate that the toxin pharmacophore resides...
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PMID: 21825095
PDF is available here.
PDF is available here.
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Abstract
We developed a nuclear magnetic resonance approach that enabled direct detection of structural elements within the intact leader (712-nucleotide dimer) that are critical for genome packaging. Residues spanning the gag start codon (AUG) form a hairpin in the monomeric leader and base pair with residu...
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PMID: 21998393
PDF is available here.
PDF is available here.
Biomacromolecules (12)9 2011
Abstract
Polyhydroxyalkanoates (PHA) synthesis genes phbC and orfZ cloned from Ralstonia eutropha H16 were transformed into beta-oxidation weakened Pseudomonas putida KTOY08ΔGC, a mutant of P. putida KT2442. The recombinant P. putida strain termed KTHH06 was able to produce a short-chain-len...
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PMID: 21863836
PDF is available here.
PDF is available here.
Abstract
Grassypeptolides F (1) and G (2), bis-thiazoline-containing cyclic depsipeptides with a rare β-amino acid, extensive N-methylation, and a large number of d-amino acids, are reported from an extract of the Palauan cyanobacterium Lyngbya majuscula. Both 1 and 2 were found to have moderate inhibitory a...
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PMID: 21806011
PDF is available here.
PDF is available here.
Abstract
Two new grassypeptolides and a lyngbyastatin analogue, together with the known dolastatin 12, have been isolated from field collections and laboratory cultures of the marine cyanobacterium Leptolyngbya sp. collected from the SS Thistlegorm shipwreck in the Red Sea. The overall stereostructures of gra...
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PMID: 21806012
PDF is available here.
PDF is available here.
Abstract
Six new secondary metabolites including two aphidicolin analogues, inflatins A (1) and B (2), and four chlamydosporol derivatives, inflatins C-F (3-6), have been isolated from the crude extract of Tolypocladium inflatum. The structures of 1-6 were determined mainly by NMR experiments, and 4 and 5 wer...
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PMID: 21812410
PDF is available here.
PDF is available here.
Abstract
Eight new sesterterpenes (2, 5, and 10-15), including structurally related pentaprenyl hydroquinones (2 and 5), and seven known ones of the same structural classes were isolated from the sponge Coscinoderma sp., collected from Chuuk Island, Micronesia. On the basis of the results of combined spectros...
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PMID: 21827183
PDF is available here.
PDF is available here.
Abstract
These results suggested that aphid pigments may protect aphids from invasive species, including viruses and bacteria....
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PMID: 21830784
PDF is available here.
PDF is available here.
Abstract
The LINE-1 (L1) retrotransposon emerges as a major source of human interindividual genetic variation, with important implications for evolution and disease. L1 retrotransposition is poorly understood at the molecular level, and the mechanistic details and evolutionary origin of the L1-encoded L1ORF1...
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PMID: 21822284
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1808)10 2011
Abstract
The interaction of the extra-membranous domain of tetrameric inwardly rectifying Kir2.1 ion channels (Kir2.1NC(4)) with the membrane associated guanylate kinase protein PSD-95 has been studied using Transmission Electron Microscopy in negative stain. Three types of complexes were observed in electron...
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PMID: 21756874
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1814)8 2011
Abstract
The problem of spontaneous folding of amino acid chains into highly organized, biologically functional three-dimensional protein structures continues to challenge the modern science. Understanding how proteins fold requires characterization of the underlying energy landscapes as well as the dynamics...
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PMID: 20883829
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1814)8 2011
Abstract
We summarize the effects of hydrostatic pressure on the native fold of azurin from Pseudomonas aeruginosa as inferred from the variation of the intrinsic phosphorescence lifetime and the acrylamide bimolecular quenching rate constants of the buried Trp residue. The pressure/temperature response of t...
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PMID: 20934540
PDF is available here.
PDF is available here.
Abstract
The quinolinol derivatives clioquinol (5-chloro-7-iodo-8-quinolinol, Quinoform) and cloxiquine (5-chloro-8-quinolinol) were studied experimentally in the solid state via (35)Cl NQR, (1)H-(17)O and (1)H-(14)N NQDR spectroscopies, and theoretically by density functional theory (DFT). T...
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PMID: 21080020
PDF is available here.
PDF is available here.
Abstract
Two new oxepin-containing (1 and 2) and two diketopiperazine-type alkaloids (3 and 4) have been isolated from an EtOAc extract of the marine-derived fungus Aspergillus sp. SF-5044. The structures of these metabolites were determined through analysis of NMR and MS data, along with Marfey's method. Com...
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PMID: 21366228
PDF is available here.
PDF is available here.
Abstract
A new nor-ceanothane-type triterpenoid, breynceanothanolic acid (1), and seven novel 4α-methyl sterols, fruticosides A-G (2-8), were obtained from the roots of Breynia fruticosa. The new compound structures were established by means of extensive spectroscopic and chemical methods. Compounds 7 and 8...
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PMID: 21428418
PDF is available here.
PDF is available here.
Abstract
Cytotoxicity-directed purification of a Symploca cf. hydnoides sample from Cetti Bay, Guam, afforded seven new cyclic depsipeptides, veraguamides A-G (1-7), together with the known compound dolastatin 16. The planar structures of 1-7 were elucidated using NMR and MS experiments, while enantioselectiv...
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PMID: 21446699
PDF is available here.
PDF is available here.
Abstract
A family of cancer cell cytotoxic cyclodepsipeptides, veraguamides A-C (1-3) and H-L (4-8), were isolated from a collection of cf. Oscillatoria margaritifera obtained from the Coiba National Park, Panama, as part of the Panama International Cooperative Biodiversity Group program. The planar structure...
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PMID: 21488639
PDF is available here.
PDF is available here.
Abstract
The title compound, which was reported to be a constituent of the fruiting body of the fungus Antrodia camphorata, has been synthesized. The reactivity and spectroscopic properties of the synthetic material do not match those of the natural product. There is currently insufficient information for a d...
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PMID: 21491924
PDF is available here.
PDF is available here.
Abstract
Seventeen new lathyrane diterpenoids (1-17) and two known analogues have been isolated from an ethanolic extract of Euphorbia micractina roots. Their structures including absolute configurations were determined by spectroscopic data interpretation and single-crystal X-ray crystallography. Compound 10...
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PMID: 21534583
PDF is available here.
PDF is available here.
Abstract
A high-throughput cell-based reporter assay designed to identify small-molecule stabilizers of the tumor suppressor Pdcd4 was used to screen extracts in the NCI Natural Products Repository. Bioassay-guided fractionation of an extract from a Papua New Guinea collection of the tropical tree Cryptocarya...
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PMID: 21539301
PDF is available here.
PDF is available here.
Abstract
Two new cyclic depsipeptides, turnagainolides A (1) and B (2), have been isolated from laboratory cultures of a marine isolate of Bacillus sp. The structures of 1 and 2, which are simply epimers at the site of macrolactonization, were elucidated by analysis of NMR data and chemical degradation. A tot...
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PMID: 21539394
PDF is available here.
PDF is available here.
Abstract
Three new limonoids, chisomicines A-C (1-3), have been isolated from the bark of Chisocheton ceramicus. Their structures were determined by 2D NMR, CD spectroscopic methods, and X-ray analysis. Chisomicine A (1) exhibited NO production inhibitory activity in J774.1 cells stimulated by LPS dose-depend...
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PMID: 21428417
PDF is available here.
PDF is available here.
Abstract
Four new steroids, 3-epi-gitingensine (1), N-acetylgitingensine (6), kibalaurifoline (7) and kibalaurifenone (8), along with the known paravallarine (2), 7α-hydroxyparavallarine (3), gitingensine (4), and N-methylgitingensine (5) were isolated from the leaves of Kibatalia laurifolia. Their structure...
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PMID: 21443172
PDF is available here.
PDF is available here.
Abstract
Three new merosesquiterpenoids, metachromins U, V, and W (1-3), were isolated from a specimen of the marine sponge Thorecta reticulata collected off Hunter Island, Tasmania, Australia. Structures of the new compounds were elucidated through extensive NMR investigations and comparison with literature...
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PMID: 21513294
PDF is available here.
PDF is available here.
Abstract
Three new dimeric prenylated C6-C3 compounds, namely, illicidiones A (1), B (2), and C (3), were isolated from the stem bark of Illicium oligandrum. The structure and absolute configuration of these compounds were determined by extensive spectroscopic and chemical analyses, including NMR, modified Mo...
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PMID: 21524101
PDF is available here.
PDF is available here.
Abstract
Four new cyclic tetradecapeptides, verrucamides A-D (1-4), have been isolated from the solid-substrate fermentation culture of the ascomycete fungus Myrothecium verrucaria. The structures of these compounds, each featuring six N-methylated amino acid residues, were elucidated primarily by NMR and MS...
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PMID: 21539317
PDF is available here.
PDF is available here.
Abstract
Two new cyclic pentapeptides (1 and 2) and the known blazein (3), ganodesterone (4), ergosterin (5), cerevisterol (6), 24-methylcholesta-4,6,8(14),22-tetraen-3-one (7), 5,8-epidioxyergosta-6,22-dien-3-ol (8), 16-α-d-mannopyranosyloxyisopimar-7-en-19-oic acid (9), and 16-hydroxy isopimar-7-en-19-oic...
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PMID: 21428374
PDF is available here.
PDF is available here.
Abstract
Eight new oleanane-type triterpenoid glycosides, gordonosides I-P (1-8), and two new phenolic glycosides (9 and 10) were isolated from the stems of Gordonia chrysandra. Their structures were elucidated by spectroscopic and chemical methods. In an in vitro bioassay, compound 1 showed a strong inhibito...
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PMID: 21473609
PDF is available here.
PDF is available here.
Abstract
Four new megastigmane glycosides, named gusanlungionosides A-D (1-4), together with 10 known compounds (5-14), were isolated from the stems of Arcangelisia gusanlung. The structures and absolute configurations of 1-4 were elucidated by comprehensive analysis of their NMR and CD data. Compounds 1-4 ex...
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PMID: 21500777
PDF is available here.
PDF is available here.
Abstract
Fourteen new dibenzocyclooctadiene lignans, ananolignans A-N (1-14), together with five known compounds, were isolated from the seeds of Kadsura ananosma. The structures and absolute configurations of 1-14 were established using a combination of spectroscopic methods including 1D- and 2D-NMR and CD t...
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PMID: 21381710
PDF is available here.
PDF is available here.
Abstract
Six new withanolides, paraminabeolides A-F (1-6), along with five known compounds, minabeolides-1, -2, -4, -5, and -8 (7-11), were isolated from a Formosan soft coral, Paraminabea acronocephala. The structures of these compounds were elucidated by extensive spectroscopic analysis and chemical transfo...
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PMID: 21425785
PDF is available here.
PDF is available here.
Abstract
I and II (1 and 2) and purgin I (3), were isolated from the aerial parts of Ipomoea purga and purified by preparative-scale recycling HPLC from a chloroform-soluble extract. Their structures were established through NMR spectroscopy and mass spectrometry. Purginosides I and II (1 and 2) are partiall...
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PMID: 21446661
PDF is available here.
PDF is available here.
Abstract
We predict that the true structure of nobilisitine A is likely the diastereomer shown here or its enantiomer....
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PMID: 21469691
PDF is available here.
PDF is available here.
Abstract
Molluscicides can play an important role in the control of schistosomiasis because snails of the genus Biomphalaria act as intermediate hosts for the parasite. Schistosomiasis is one of 13 neglected tropical diseases with high morbidity and mortality that collectively affect one billion of the world'...
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PMID: 21473610
PDF is available here.
PDF is available here.
Abstract
Searching for metabolites from Streptomyces sp. RI051-SDHV6 resulted in the discovery of a novel peptide, JBIR-96 (1). The structure of 1 was established as an N-phenylacetylated pentapeptide involving a cysteic acid and a peptide lactone structure by extensive NMR and MS analyses. In addition, the a...
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PMID: 21491925
PDF is available here.
PDF is available here.
Abstract
Nine new daphnane-type diterpenoids (1-9), named trigohownins A-I, and four known analogues were isolated from Trigonostemon howii. Their structures were elucidated on the basis of extensive NMR and MS analyses. Trigohownins A (1) and D (4) exhibited moderate cytotoxic activity against the HL-60 tumo...
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PMID: 21520897
PDF is available here.
PDF is available here.
Abstract
Twelve new diterpenoids, isoadenolins A-L (1-12), and 24 known ones were isolated from the aerial parts of Isodon adenolomus. Their structures were identified using spectroscopic data, and the absolute configurations of 1 and 14 were determined by single-crystal X-ray diffraction. Selected compounds...
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PMID: 21534539
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1808)10 2011
Abstract
We have solved the structure of the naturally occurring peptide in detergent micelles at a neutral pH. The structure has an overall kinked helix motif, with residues 7-17 and 21-28 in a helical conformation, and with a 3(10) helix from Gly 33-Asn 35. In addition, the angle between the N- and C-termi...
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PMID: 21723249
PDF is available here.
PDF is available here.
Abstract
The structures of the ribosomally synthesized peptide antibiotics from Bacillus amyloliquefaciens FZB42, plantazolicin A and B, have been elucidated by high resolving ESI-MSMS, 2D (1)H-(13)C-correlated NMR spectroscopy as well as (1)H-(15)N-HMQC/(1)H-(15)N-HMBC NMR experiments. (15)N...
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PMID: 21568297
PDF is available here.
PDF is available here.
Abstract
Three new heteroaromatic alkaloids, nakijinamines C-E (1-3), which are a hybrid of the aaptamine-type and bromoindole alkaloids possessing a taurine- or histidine-derived residue, have been isolated from an Okinawan marine sponge Suberites species. The structures of 1-3 were elucidat...
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PMID: 21574567
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.
Biochimica et Biophysica Acta (1814)8 2011
Abstract
Abstract
We established the molecular basis for this model for the archetypal signaling adaptor protein Crk-II by measuring the thermodynamics and kinetics of the equilibrium between autoinhibited and activated-like states. We used fluorescence and NMR spectroscopies together with segmental isotopic labeling...
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PMID: 21532593
PDF is available here.
PDF is available here.
Abstract
We tested the idea that volume exclusion dominates the crowding effect in cells using a variant of protein L, a 7 kDa globular protein with seven lysine residues replaced by glutamic acids; 84% of the variant molecules populate the denatured state in dilute buffer at room temperature, compared with...
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PMID: 21534566
PDF is available here.
PDF is available here.
Medicinal Chemistry (7)3 2011
Abstract
We report that by using a simple chemical modification technique we can obtain new biomaterials, specifically suitable for biomedical applications. Concretely, we describe the chemical modification of gelatin and the suitable characteristics of the modified protein to develop new nanomedicines. This...
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PMID: 21486207
PDF is available here.
PDF is available here.
Abstract
We have combined NMR relaxation experiments and residual dipolar coupling (RDC) measurements with molecular dynamics (MD) simulations to study the effects of the anti-inflammatory drug carbenoxolone (CBNX) on the conformational properties and on the internal dynamics of a subdomain (box A) of high...
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PMID: 21294273
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1808)8 2011
Abstract
In present work the interaction of two TM α-helices of the ErbB3 receptor tyrosine kinase from the ErbB or HER family (residues 639-670) was studied by means of NMR spectroscopy in a membrane-mimicking environment provided by the DPC micelles. The ErbB3 TM segment appeared to form a parallel symmetr...
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PMID: 21575594
PDF is available here.
PDF is available here.
Abstract
We characterized the genomic, metabolic, and physiological divergence of several inbred rat strains--Brown Norway, Lewis, Wistar Kyoto, Fisher (F344)--frequently used as healthy controls in genetic studies of the cardiometabolic syndrome. Hierarchical clustering of (1)H NMR-based metabolic profiles...
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PMID: 21322573
PDF is available here.
PDF is available here.
Abstract
We characterized the genomic, metabolic, and physiological divergence of several inbred rat strains--Brown Norway, Lewis, Wistar Kyoto, Fisher (F344)--frequently used as healthy controls in genetic studies of the cardiometabolic syndrome. Hierarchical clustering of (1)H NMR-based metabolic profiles...
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PMID: 21322573
PDF is available here.
PDF is available here.
Biochimica et Biophysica Acta (1808)8 2011
Abstract
Alyteserin-1c (GLKEIFKAGLGSLVKGIAAHVAS.NH(2)), first isolated from skin secretions of the midwife toad Alytes obstetricans, shows selective growth-inhibitory activity against Gram-negative bacteria. The structures of alyteserin-1c and its more potent and less haemolytic analogue [E4K]alyteserin-1c we...
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PMID: 21565166
PDF is available here.
PDF is available here.
Abstract
We report on a crucial structural feature of the bent DNA required for strong binding to HMGB1. NMR structures of two bent DNA oligomers, only one of which binds strongly to HMGB1, revealed that the presence of a pocket structure on the minor groove is crucial for strong binding through penetration...
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PMID: 21443191
PDF is available here.
PDF is available here.
Clinical Cancer Research (17)9 2011
Abstract
We aimed to evaluate the effect of pretreatment serum metabolic profiles generated by (1)H NMR spectroscopy on toxicity in patients with inoperable colorectal cancer receiving single agent capecitabine....
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PMID: 21415219
PDF is available here.
PDF is available here.
Abstract
We describe a repeated seeding protocol that selects a homogeneous fibril structure from a polymorphic initial state in the case of 40-residue β-amyloid fibrils with the Asp23-to-Asn, or Iowa, mutation (D23N-Aβ(1-40)). We use thioflavin T (ThT) fluorescence, transmission electron microscopy (TEM),...
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PMID: 21355554
PDF is available here.
PDF is available here.
Abstract
We show that solid-state (2)H NMR relaxation elucidates picosecond-to-nanosecond-timescale motions of the retinal ligand that influence larger-scale functional dynamics of rhodopsin in membranes. We propose a multiscale activation mechanism whereby retinal initiates collective helix fluctuations in...
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PMID: 21278756
PDF is available here.
PDF is available here.
Abstract
We show that solid-state (2)H NMR relaxation elucidates picosecond-to-nanosecond-timescale motions of the retinal ligand that influence larger-scale functional dynamics of rhodopsin in membranes. We propose a multiscale activation mechanism whereby retinal initiates collective helix fluctuations in...
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PMID: 21278756
PDF is available here.
PDF is available here.
Abstract
The direct observation of a transition state analogue (TSA) complex for tyrosine phosphorylation by a signaling kinase has been achieved using (19)F NMR analysis of MEK6 in complex with tetrafluoroaluminate (AlF(4)(-)), ADP, and p38α MAP kinase (acceptor residue: Tyr182). Solvent-induced isotope shi...
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PMID: 21348513
PDF is available here.
PDF is available here.
Abstract
We examined molecular details of Cu(2+) binding to amyloid fibrils by detecting paramagnetic signal quenching in 1D and 2D high-resolution (13)C solid-state NMR (SSNMR) for full-length 40-residue Aβ(1-40). Selective quenching observed in (13)C SSNMR of Cu(2+)-bound Aβ(1-40) suggested that primary...
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PMID: 21341665
PDF is available here.
PDF is available here.
Abstract
A series of complementary molecular strands from 2-mer to 5-mer that are composed of m-terphenyl units bearing chiral/achiral amidine or achiral carboxyl groups linked via Pt(II) acetylide complexes were synthesized by sequential stepwise reactions, and their chiroptical properties on the double-heli...
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PMID: 21341774
PDF is available here.
PDF is available here.
Abstract
We have shown that CD has a well-defined metabonomic signature. Here we address potential CD patients, defined as subjects who do not have, and have never had, a jejunal biopsy consistent with clear CD, and yet have immunological abnormalities similar to those found in celiac patients. Sixty-one ove...
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PMID: 21090607
PDF is available here.
PDF is available here.
Molecular Cell (41)2 2011
Abstract
We use ΔN6, a truncation variant of the naturally amyloidogenic protein β(2)-microglobulin (β(2)m), to determine the solution structure of a nonnative amyloidogenic intermediate at high resolution. The structure of ΔN6 reveals a major repacking of the hydrophobic core to accommodate the nonnativ...
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PMID: 21255727
PDF is available here.
PDF is available here.