Genomes and Genes
Experts and Doctors on magnetic resonance spectroscopy in Bethesda, Maryland, United States
Locale: Bethesda, Maryland, United States
Topic: magnetic resonance spectroscopy
- Lee K, Rui H, Pastor R, Im W. Brownian dynamics simulations of ion transport through the VDAC. Biophys J. 2011;100:611-619 pubmed publisher..The difference in ion selectivity between the wild-type and the mutants is the result of altered potential of mean force profiles that are dominated by the electrostatic interactions. ..
- Monahan Z, Ryan V, Janke A, Burke K, Rhoads S, Zerze G, et al. Phosphorylation of the FUS low-complexity domain disrupts phase separation, aggregation, and toxicity. EMBO J. 2017;36:2951-2967 pubmed publisher..Hence, post-translational modification may be a mechanism by which cells control physiological assembly and prevent pathological protein aggregation, suggesting a potential treatment pathway amenable to pharmacologic modulation. ..
- Hu K. Polarizing agents and mechanisms for high-field dynamic nuclear polarization of frozen dielectric solids. Solid State Nucl Magn Reson. 2011;40:31-41 pubmed publisher..In addition, the combination of an excited triplet and a stable radical might provide alternative DNP mechanisms without the microwave requirement. ..
- McGlinchey R, Gruschus J, Nagy A, Lee J. Probing fibril dissolution of the repeat domain of a functional amyloid, Pmel17, on the microscopic and residue level. Biochemistry. 2011;50:10567-9 pubmed publisher..Our results reveal asymmetric fibril disassembly proceeding in the absence of intermediates. We suggest that fibril unfolding involves multiple deprotonation events resulting in electrostatic charge repulsion and filament dissolution. ..
- Hou S, KovÃ¡c P. Enhanced stereoselectivity of alpha-mannosylation under thermodynamic control using trichloroacetimidates. Carbohydr Res. 2010;345:999-1007 pubmed publisher..This effect is much more pronounced when glycosyl trichloroacetimidates, rather than thioglycosides or glycosyl chlorides, are used as glycosyl donors. ..
- Kimura T, Cheng K, Rice K, Gawrisch K. Location, structure, and dynamics of the synthetic cannabinoid ligand CP-55,940 in lipid bilayers. Biophys J. 2009;96:4916-24 pubmed publisher..With its flexible hydrophobic tail, CP-55,940 may efficiently approach the binding site of the cannabinoid receptor from the lipid-water interface by lateral diffusion. ..
- Zhou Z, Feng H, Hansen D, Kato H, Luk E, FREEDBERG D, et al. NMR structure of chaperone Chz1 complexed with histones H2A.Z-H2B. Nat Struct Mol Biol. 2008;15:868-9 pubmed publisher..A molecular model that docks Chz1 onto the nucleosome has implications for its potential functions. ..
- Soubias O, Polozov I, Teague W, Yeliseev A, Gawrisch K. Functional reconstitution of rhodopsin into tubular lipid bilayers supported by nanoporous media. Biochemistry. 2006;45:15583-90 pubmed..The change in lipid chain order parameters due to interaction with rhodopsin was insignificant. ..
- Shen J. Preserving the excitation profile of small flip angle RF pulses in the presence of rapid transverse relaxation. J Magn Reson. 2012;224:8-12 pubmed publisher..The transformed pulses, within the realm of the linear response theory, produce the same transverse frequency response as if there were no relaxation. ..
- Wang J, Liu M, Yang C, Wu X, Wang E, Liu P. HPLC method development, validation, and impurity characterization of a potent antitumor indenoisoquinoline, LMP776 (NSC 725776). J Pharm Biomed Anal. 2016;124:267-273 pubmed publisher..9999), accuracy (recovery 98.6-100.4%), precision (RSD ≤ 1.4%), and sensitivity (LOD 0.13 μg/mL). The validated method was used in the stability study of the LMP776 drug substance in conformance with the ICH Q1A (R2) guideline. ..
- Zhai P, Pagan F, Statland J, Butman J, Floeter M. Primary lateral sclerosis: A heterogeneous disorder composed of different subtypes?. Neurology. 2003;60:1258-65 pubmed..Patients with PLS with an ascending progression of symptoms form a distinct clinical subgroup that may be amenable to investigations of etiology and treatment. ..
- Schwieters C, Clore G. Internal coordinates for molecular dynamics and minimization in structure determination and refinement. J Magn Reson. 2001;152:288-302 pubmed
- Hu K, Tycko R. Zero-quantum frequency-selective recoupling of homonuclear dipole-dipole interactions in solid state nuclear magnetic resonance. J Chem Phys. 2009;131:045101 pubmed publisher..Experimental demonstrations include measurements of distances between (13)C sites that are separated by three bonds, placing quantitative constraints on both sidechain and backbone torsion angles in polypeptides. ..
- Suh J, Cai M, Clore G. Impact of phosphorylation on structure and thermodynamics of the interaction between the N-terminal domain of enzyme I and the histidine phosphocarrier protein of the bacterial phosphotransferase system. J Biol Chem. 2008;283:18980-9 pubmed publisher..This facilitates highly efficient phosphoryl transfer between EIN and HPr, which is estimated to occur at a rate of approximately 850 s(-1) from exchange spectroscopy. ..
- Xiang B, Weiler S, Nirenberg M, Ferretti J. Structural basis of an embryonically lethal single Ala --> Thr mutation in the vnd/NK-2 homeodomain. Proc Natl Acad Sci U S A. 1998;95:7412-6 pubmed..In the A35T mutant this amide proton resonance is shifted upfield by 1.27 ppm relative to the resonance frequency for the wild-type analog, thereby indicating a significant alteration of this i,i-5 hydrogen bond. ..
- Zhang Y, Shen J. Soft constraints in nonlinear spectral fitting with regularized lineshape deconvolution. Magn Reson Med. 2013;69:912-9 pubmed publisher..The method was demonstrated using localized averaged echo time point resolved spectroscopy proton spectroscopy of human brains. ..
- Qiang W, Yau W, Luo Y, Mattson M, Tycko R. Antiparallel ?-sheet architecture in Iowa-mutant ?-amyloid fibrils. Proc Natl Acad Sci U S A. 2012;109:4443-8 pubmed publisher..Thus, our antiparallel D23N-A?(1-40) fibril model represents a specific "toxic intermediate" in the aggregation process of a disease-associated A? mutant. ..
- Shewmaker F, Kryndushkin D, Chen B, Tycko R, Wickner R. Two prion variants of Sup35p have in-register parallel beta-sheet structures, independent of hydration. Biochemistry. 2009;48:5074-82 pubmed publisher..Transmission of the [PSI(+)] prion by amyloid fibrils of Sup35NM and transmission of the [URE3] prion by amyloid fibrils of recombinant full-length Ure2p are similar whether they have been lyophilized or not (wet or dry). ..
- Tikhonova I, Costanzi S. Unraveling the structure and function of G protein-coupled receptors through NMR spectroscopy. Curr Pharm Des. 2009;15:4003-16 pubmed..In this review, we provide a summary of the NMR contributions to the study of the structure and function of GPCRs, also in light of the published crystal structures. ..
- Xu H, Regino C, Bernardo M, Koyama Y, Kobayashi H, Choyke P, et al. Toward improved syntheses of dendrimer-based magnetic resonance imaging contrast agents: new bifunctional diethylenetriaminepentaacetic acid ligands and nonaqueous conjugation chemistry. J Med Chem. 2007;50:3185-93 pubmed..The latter aspect is further demonstrated by preparation of a novel maleimide analog of 1B4M-DTPA from a key synthetic intermediate aniline derivative. ..
- Arcos Burgos M, LondoÃ±o A, Pineda D, Lopera F, Palacio J, Arbelaez A, et al. Analysis of brain metabolism by proton magnetic resonance spectroscopy (1H-MRS) in attention-deficit/hyperactivity disorder suggests a generalized differential ontogenic pattern from controls. Atten Defic Hyperact Disord. 2012;4:205-12 pubmed publisher..As a whole, these results replicate previous 1H-MRS findings and add new intriguing differential metabolic and ontogeny patterns between ADHD cases and controls that warrant further pursue. ..
- Tjandra N, Garrett D, Gronenborn A, Bax A, Clore G. Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy. Nat Struct Biol. 1997;4:443-9 pubmed..The method is demonstrated using the N-terminal domain of Enzyme I,a protein of 259 residues comprising two distinct domains with a diffusion anisotropy(Dparallel/Dperpendicular)of approximately 2. ..
- Thurber K, Tycko R. Low-temperature dynamic nuclear polarization with helium-cooled samples and nitrogen-driven magic-angle spinning. J Magn Reson. 2016;264:99-106 pubmed publisher..3 l/h. To illustrate potential applications of this instrumentation in structural studies of biochemical systems, we compare results from low-temperature DNP experiments on a calmodulin-binding peptide in its free and bound states. ..
- Pine D, Ernst M, Leibenluft E. Imaging-genetics applications in child psychiatry. J Am Acad Child Adolesc Psychiatry. 2010;49:772-82 pubmed publisher..Child psychiatry applications of imaging genetics are only beginning to emerge. The approach holds promise for advancing understandings of pathophysiology and therapeutics. ..
- Huang K, Louis J, Donaldson L, Lim F, Sharrocks A, Clore G. Solution structure of the MEF2A-DNA complex: structural basis for the modulation of DNA bending and specificity by MADS-box transcription factors. EMBO J. 2000;19:2615-28 pubmed..The structure of the MEF2S domain is entirely different from that of the equivalent SAM domain in SRF and MCM1, accounting for the absence of cross-reactivity with other proteins that interact with these transcription factors. ..
- Hu K, Vögeli B, Clore G. 13C-detected HN(CA)C and HMCMC experiments using a single methyl-reprotonated sample for unambiguous methyl resonance assignment. J Biomol NMR. 2006;36:259-66 pubmed..The applicability of these experiments for the assignment of methyl 1H and 13C resonances is demonstrated using the 18.6 kDa B domain of the Escherichia coli mannose transporter (IIBMannose). ..
- Bonocora R, Caignan G, Woodrell C, Werner M, Hinton D. A basic/hydrophobic cleft of the T4 activator MotA interacts with the C-terminus of E.coli sigma70 to activate middle gene transcription. Mol Microbiol. 2008;69:331-43 pubmed publisher..Our work supports accumulated evidence indicating that 'sigma appropriation' by MotA and AsiA uses a fundamentally different mechanism to activate transcription...
- Poirot E, Chang A, Horton D, Kovac P. Synthetic explorations towards 3-deoxy-3-fluoro derivatives of D-perosamine. Carbohydr Res. 2001;334:195-205 pubmed..Compounds 18 and 19 were converted, conventionally, into the 3-fluoro analogs of the terminal determinants of the O-PS of Vibrio cholerae O:1, serotype Inaba and Ogawa, respectively...
- Qin J, Clore G, Gronenborn A. The high-resolution three-dimensional solution structures of the oxidized and reduced states of human thioredoxin. Structure. 1994;2:503-22 pubmed..These subtle structural differences, in addition to the restriction of conformational freedom within the active site upon oxidation, may be important for the different activities of thioredoxin involving a variety of target proteins. ..
- Xu S, Yang J, Li C, Zhu W, Shen J. Metabolic alterations in focally activated primary somatosensory cortex of alpha-chloralose-anesthetized rats measured by 1H MRS at 11.7 T. Neuroimage. 2005;28:401-9 pubmed..At the same time, metabolic matching prevails during increased energy consumption with no significant increase in the glycolytic product lactate in the focally activated primary somatosensory cortex of alpha-chloralose-anesthetized rats...
- Yang J, Xu S, Shen J. Fast isotopic exchange between mitochondria and cytosol in brain revealed by relayed 13C magnetization transfer spectroscopy. J Cereb Blood Flow Metab. 2009;29:661-9 pubmed publisher..If Vx approximately VTCA, the isotopic exchange between mitochondria and cytosol would be too slow on the time scale of 13C longitudinal relaxation to cause a detectable magnetization transfer effect. ..
- Levy L, Levy Reis I, Fujii M, Dalakas M. Brain gamma-aminobutyric acid changes in stiff-person syndrome. Arch Neurol. 2005;62:970-4 pubmed
- Fuda H, Javitt N, Mitamura K, Ikegawa S, Strott C. Oxysterols are substrates for cholesterol sulfotransferase. J Lipid Res. 2007;48:1343-52 pubmed..Thus, SULT2B1b, by acting on a variety of oxysterols, offers a potential pathway for modulating in vivo the injurious effects of these compounds. ..
- Robbins J, Kubler Kielb J, Vinogradov E, Mocca C, Pozsgay V, Shiloach J, et al. Synthesis, characterization, and immunogenicity in mice of Shigella sonnei O-specific oligosaccharide-core-protein conjugates. Proc Natl Acad Sci U S A. 2009;106:7974-8 pubmed publisher..IgG antibody levels induced in young outbred mice by the S. sonnei O-SPC conjugates were significantly higher then those elicited by the O-SP conjugates. Accordingly, we propose to evaluate clinically these conjugates...
- Marenco S, Steele S, Egan M, Goldberg T, Straub R, Sharrief A, et al. Effect of metabotropic glutamate receptor 3 genotype on N-acetylaspartate measures in the dorsolateral prefrontal cortex. Am J Psychiatry. 2006;163:740-2 pubmed..These findings provide further evidence that GRM3 affects prefrontal function and that variation in GRM3, monitored by SNP rs6465084, affects GRM3 function. ..
- Ma K, Wang K. Interaction of nebulin SH3 domain with titin PEVK and myopalladin: implications for the signaling and assembly role of titin and nebulin. FEBS Lett. 2002;532:273-8 pubmed..Our findings suggest that titin PEVK and myopalladin may play signaling roles in targeting and orientating nebulin to the Z-line during sarcomere assembly. ..
- Mizuno N, Baxa U, Steven A. Structural dependence of HET-s amyloid fibril infectivity assessed by cryoelectron microscopy. Proc Natl Acad Sci U S A. 2011;108:3252-7 pubmed publisher..In triplets, this surface is occluded, blocking nucleation and thereby explaining their lack of infectivity...
- Levy L, Dalakas M, Floeter M. The stiff-person syndrome: an autoimmune disorder affecting neurotransmission of gamma-aminobutyric acid. Ann Intern Med. 1999;131:522-30 pubmed..Results of an ongoing controlled trial will elucidate the role of these agents in the treatment of the disease...
- Cecchi F, Pajalunga D, Fowler C, Uren A, Rabe D, Peruzzi B, et al. Targeted disruption of heparan sulfate interaction with hepatocyte and vascular endothelial growth factors blocks normal and oncogenic signaling. Cancer Cell. 2012;22:250-62 pubmed publisher..Our findings illustrate the importance of HS in growth factor driven cancer progression and reveal an efficient strategy for therapeutic antagonist development. ..
- Hong J, Feng H, Zhou Z, Ghirlando R, Bai Y. Identification of functionally conserved regions in the structure of the chaperone/CenH3/H4 complex. J Mol Biol. 2013;425:536-45 pubmed publisher..Thus, our studies have identified conserved structural bases of how the chaperones recognize CenH3 and perform the chaperone function. ..
- Correa Cerro L, Wassif C, Kratz L, Miller G, Munasinghe J, Grinberg A, et al. Development and characterization of a hypomorphic Smith-Lemli-Opitz syndrome mouse model and efficacy of simvastatin therapy. Hum Mol Genet. 2006;15:839-51 pubmed
- McGlinchey R, Shewmaker F, McPhie P, Monterroso B, Thurber K, Wickner R. The repeat domain of the melanosome fibril protein Pmel17 forms the amyloid core promoting melanin synthesis. Proc Natl Acad Sci U S A. 2009;106:13731-6 pubmed publisher..We suggest that RPT is the amyloid core domain of the Pmel17 filaments so critical for melanin formation. ..
- Omichinski J, Clore G, Schaad O, Felsenfeld G, Trainor C, Appella E, et al. NMR structure of a specific DNA complex of Zn-containing DNA binding domain of GATA-1. Science. 1993;261:438-46 pubmed..A large number of interactions are observed with the phosphate backbone. ..
- Suh J, Iwahara J, Clore G. Intramolecular domain-domain association/dissociation and phosphoryl transfer in the mannitol transporter of Escherichia coli are not coupled. Proc Natl Acad Sci U S A. 2007;104:3153-8 pubmed
- Clore G, Omichinski J, Sakaguchi K, Zambrano N, Sakamoto H, Appella E, et al. High-resolution structure of the oligomerization domain of p53 by multidimensional NMR. Science. 1994;265:386-91 pubmed..The implications of the structure of the tetramer for the biological function of p53 are discussed. ..
- Ma J, Edlich F, Bermejo G, Norris K, Youle R, Tjandra N. Structural mechanism of Bax inhibition by cytomegalovirus protein vMIA. Proc Natl Acad Sci U S A. 2012;109:20901-6 pubmed publisher..The structure suggests that by stabilizing key elements in Bax needed to unravel for its MOM insertion and oligomerization, vMIA prevents these important steps in apoptosis. ..
- Takayama Y, Clore G. Intra- and intermolecular translocation of the bi-domain transcription factor Oct1 characterized by liquid crystal and paramagnetic NMR. Proc Natl Acad Sci U S A. 2011;108:E169-76 pubmed publisher..Thus cross-talk between the POU(S) and POU(HD) domains, each fulfilling different and complementary components of the search process ensures efficient sampling of DNA, thereby facilitating the location of specific Oct1 target sites. ..
- Arcos Burgos M, Jain M, Acosta M, Shively S, Stanescu H, Wallis D, et al. A common variant of the latrophilin 3 gene, LPHN3, confers susceptibility to ADHD and predicts effectiveness of stimulant medication. Mol Psychiatry. 2010;15:1053-66 pubmed publisher..Linkage and replicated association of ADHD with a novel non-candidate gene (LPHN3) provide new insights into the genetics, neurobiology, and treatment of ADHD. ..
- Ikura M, Clore G, Gronenborn A, Zhu G, Klee C, Bax A. Solution structure of a calmodulin-target peptide complex by multidimensional NMR. Science. 1992;256:632-8 pubmed
- Marion D, Zasloff M, Bax A. A two-dimensional NMR study of the antimicrobial peptide magainin 2. FEBS Lett. 1988;227:21-6 pubmed..The transition to the alpha-helical conformation occurs at very low concentrations of TFE. ..
- Wang G, Louis J, Sondej M, Seok Y, Peterkofsky A, Clore G. Solution structure of the phosphoryl transfer complex between the signal transducing proteins HPr and IIA(glucose) of the Escherichia coli phosphoenolpyruvate:sugar phosphotransferase system. EMBO J. 2000;19:5635-49 pubmed
- Qin J, Clore G, Kennedy W, Huth J, Gronenborn A. Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B. Structure. 1995;3:289-97 pubmed..These structural features permit one to suggest the specificity requirements for human thioredoxin-catalyzed disulfide bond reduction of proteins. ..
- Kubler Kielb J, Schneerson R, Mocca C, Vinogradov E. The elucidation of the structure of the core part of the LPS from Plesiomonas shigelloides serotype O17 expressing O-polysaccharide chain identical to the Shigella sonnei O-chain. Carbohydr Res. 2008;343:3123-7 pubmed publisher..Significant similarity of the P. shigelloides O17 LPS core with the structure of the P. shigelloides O54 core was observed...
- Pozsgay V, Kubler Kielb J, Coxon B, Marques A, Robbins J, Schneerson R. Synthesis and antigenicity of BBGL-2 glycolipids of Borrelia burgdorferi, the causative agent of Lyme disease. Carbohydr Res. 2011;346:1551-63 pubmed publisher..This substance proved to be antigenic and is considered a candidate vaccine for Lyme disease. ..
- Levy L, Henkin R. Brain gamma-aminobutyric acid levels are decreased in patients with phantageusia and phantosmia demonstrated by magnetic resonance spectroscopy. J Comput Assist Tomogr. 2004;28:721-7 pubmed..In this study, possible CNS mechanisms responsible for these distortions were evaluated using magnetic resonance spectroscopy, because this technique has been used to measure various CNS metabolites in patients with neurologic disorders...
- Tsao D, Gruschus J, Wang L, Nirenberg M, Ferretti J. The three-dimensional solution structure of the NK-2 homeodomain from Drosophila. J Mol Biol. 1995;251:297-307 pubmed..The role of variable residues 52, 54 and 56 in determining the structure and flexibility of the recognition helix, as well as the stability of the NK-2 homeodomain as manifested by its thermal denaturation, are discussed. ..
- Yoshida Y, Ganguly S, Bush C, Cisar J. Carbohydrate engineering of the recognition motifs in streptococcal co-aggregation receptor polysaccharides. Mol Microbiol. 2005;58:244-56 pubmed publisher..The reactions of these genetically modified polysaccharides as antigens and receptors provide further insight into the structural basis of RPS function...
- Kajimura J, Rahman A, Hsu J, Evans M, Gardner K, Rick P. O acetylation of the enterobacterial common antigen polysaccharide is catalyzed by the product of the yiaH gene of Escherichia coli K-12. J Bacteriol. 2006;188:7542-50 pubmed..Accordingly, we propose that this gene be designated wecH. ..
- Markus M, Gerstner R, Draper D, Torchia D. Refining the overall structure and subdomain orientation of ribosomal protein S4 delta41 with dipolar couplings measured by NMR in uniaxial liquid crystalline phases. J Mol Biol. 1999;292:375-87 pubmed..The solution structure, refined with dipolar data, is presented and its implications for S4's RNA binding activity are discussed. ..
- Zhou Z, Feng H, Ghirlando R, Bai Y. The high-resolution NMR structure of the early folding intermediate of the Thermus thermophilus ribonuclease H. J Mol Biol. 2008;384:531-9 pubmed publisher..Other factors that may lead to the slow folding of the native state and the accumulation of the intermediate before the rate-limiting transition state are also discussed. ..
- Milescu M, Vobecky J, Roh S, Kim S, Jung H, Kim J, et al. Tarantula toxins interact with voltage sensors within lipid membranes. J Gen Physiol. 2007;130:497-511 pubmed
- Gawrisch K, Gaede H, Mihailescu M, White S. Hydration of POPC bilayers studied by 1H-PFG-MAS-NOESY and neutron diffraction. Eur Biophys J. 2007;36:281-91 pubmed..Water molecules penetrate deep into the interfacial region of bilayers but water concentration in the hydrophobic core is below the detection limit of one water molecule per lipid, in excellent agreement with the cross-relaxation data. ..
- Lodi P, Garrett D, Kuszewski J, Tsang M, Weatherbee J, Leonard W, et al. High-resolution solution structure of the beta chemokine hMIP-1 beta by multidimensional NMR. Science. 1994;263:1762-7 pubmed..Calculation of the solvation free energies of dimerization suggests that the formation and stabilization of the two different types of dimers arise from the burial of hydrophobic residues. ..
- Marenco S, Savostyanova A, van der Veen J, Geramita M, Stern A, Barnett A, et al. Genetic modulation of GABA levels in the anterior cingulate cortex by GAD1 and COMT. Neuropsychopharmacology. 2010;35:1708-17 pubmed publisher..The directionality of the effects, however, is inconsistent with earlier evidence of decreased GABA activity in schizophrenia. ..
- Strzelecka T, Clore G, Gronenborn A. The solution structure of the Mu Ner protein reveals a helix-turn-helix DNA recognition motif. Structure. 1995;3:1087-95 pubmed..The Ner protein from phage D108 and the Nlp protein from E. coli are likely to have very similar tertiary structures due to high amino-acid-sequence identity with Mu Ner. ..
- Dangi B, Gronenborn A, Rosner J, Martin R. Versatility of the carboxy-terminal domain of the alpha subunit of RNA polymerase in transcriptional activation: use of the DNA contact site as a protein contact site for MarA. Mol Microbiol. 2004;54:45-59 pubmed..These results reveal a new versatility for alpha-CTD in transcriptional activation. ..
- Clubb R, Schumacher S, Mizuuchi K, Gronenborn A, Clore G. Solution structure of the I gamma subdomain of the Mu end DNA-binding domain of phage Mu transposase. J Mol Biol. 1997;273:19-25 pubmed..The helix-turn-helix motif of I gamma, however, differs from that of the homeodomains in so far as the loop is longer and the second helix is shorter, reminiscent of that in the POU-specific domain...
- Qin J, Clore G, Kennedy W, Kuszewski J, Gronenborn A. The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal. Structure. 1996;4:613-20 pubmed..This versatility in substrate recognition permits hTRX to act as a wide-ranging redox regulator for the cell. ..