Molecular dynamics simulation studies of induced fit and conformational capture in U1A-RNA binding: do molecular substates code for specificity?

abstract：:The solution conformations of three trispeptides--L,L,L-1,3,5-C6H3[CH2NHCOCH(X)-NHBoc++ +]3, X = CH3 (Ala) or CH2CH(CH3)2 (Leu), and L,L,L-N(CH2CH2NHCOCH[CH2-CH(CH3)2]NHBoc)3--have been determined from their ir and vibrational CD (VCD) spectra in the NH stretching and carbonyl stretching regions in apolar solution. Th...

journal_title：Biopolymers

authors： Paterlini MG,Freedman TB,Nafie LA,Tor Y,Shanzer A

更新日期：1992-07-01 00:00:00

abstract：:The Lifson-Roig Model (LRM) and all its variants describe the α-helix to coil transition in terms of additive component-free energies within a free energy decomposition scheme, and these contributions are interpreted through sequence-context dependent nucleation and propagation parameters. Although this phenomenologic...

journal_title：Biopolymers

authors： Wood GG,Clinkenbeard DA,Jacobs DJ

更新日期：2011-04-01 00:00:00

abstract：:Nocistatin, a new heptadecapeptide encoded in the bPNP-3 gene, has a powerful biological activity connected with the mechanisms of pain transmission. It does not bind to the opioid receptors but to another brain receptor with high affinity. In order to substantiate these novel biological data with a structural basis, ...

journal_title：Biopolymers

authors： Crescenzi O,Guerrini R,Picone D,Salvadori S,Tancredi T,Temussi PA

更新日期：2000-03-01 00:00:00

abstract：:The development of differential scanning calorimetry has resulted in an increased interest in studies of the unfolding process in proteins with the aim of identifying domains and interactions with ligands or other proteins. Several of these studies were done with actin and showed that the thermal unfolding of F-actin ...

journal_title：Biopolymers

authors： Gicquaud CR,Heppell B

更新日期：2006-11-01 00:00:00

abstract：:Optical tweezers are ideally suited to perform force microscopy experiments that isolate a single biomolecule, which then provides multiple binding sites for ligands. The captured complex may be subjected to a spectrum of forces, inhibiting or facilitating ligand activity. In the following experiments, we utilize opti...

journal_title：Biopolymers

authors： McCauley MJ,Williams MC

更新日期：2009-04-01 00:00:00

abstract：:Human saliva contains hundreds of small proline-rich peptides originated by the proteolytic cleavage of the salivary basic Proline-Rich Proteins. Nevertheless only for few of them a specific biological activity has been assigned to date. Among them, the 1932 Da peptide (p1932) has been patented as an anti-HIV agent. I...

journal_title：Biopolymers

authors： Righino B,Pirolli D,Radicioni G,Marzano V,Longhi R,Arcovito A,Sanna MT,De Rosa MC,Paoluzi S,Cesareni G,Messana I,Castagnola M,Vitali A

更新日期：2016-09-01 00:00:00

abstract：:The secondary structure of a 38 kDa core protein from pig skin proteodermatan sulfate (PDS), was investigated in solution using CD and Fourier transform (FT) ir spectroscopy. Both techniques generally have provided complementary data on the secondary structures of proteins. CD spectral analysis has shown that the core...

journal_title：Biopolymers

authors： Renugopalakrishnan V,Damle SP,Horowitz PM,Moore S,Hutson TB,Gregory JD

更新日期：1989-11-01 00:00:00

abstract：:In recent years, a revolution has occurred in the basic sciences, which exploits novel single molecule detection and manipulation tools to track and analyze biopolymers in unprecedented detail. A recent Gordon Research Conference style meeting, hosted by the University of Michigan, highlighted current status and futur...

journal_title：Biopolymers

authors： Walter NG,Meiners JC,Meyhofer E,Neubig RR,Sunahara RK,Perkins NC,Steel DG,Swanson JA

更新日期：2007-02-05 00:00:00

abstract：:Aromatic stacking and hydrogen bonding between nucleobases are two of the key interactions responsible for stabilization of DNA double-helical structures. The present work aims at defining the specific contributions of these interactions to the stability of individual base pairs in DNA. The two DNA double helices inve...

journal_title：Biopolymers

authors： Every AE,Russu IM

更新日期：2007-10-05 00:00:00

abstract：:Vasoactive intestinal peptide (VIP) and pituitary adenylate cyclase-activating polypeptide-27 (PACAP27) are members of the secretin-glucagon family containing 28 and 27 residues, respectively. NMR spectroscopy studies suggest that the N-terminus exhibit consecutive beta-turns whereas the central and C-terminal parts o...

journal_title：Biopolymers

authors： Corcho FJ,Mokoena P,Bisetty K,Perez JJ

更新日期：2009-05-01 00:00:00

abstract：:Second-generation dendrimers have been prepared on solid phase by successive additions of branched polyproline building blocks starting from two different branching units anchored to the solid support. The preparation of Pro-rich building blocks was carried out by stepwise solid-phase synthesis and their iterative add...

journal_title：Biopolymers

authors： Sanclimens G,Crespo L,Giralt E,Royo M,Albericio F

更新日期：2004-01-01 00:00:00

abstract：:We have extended our studies of Trp/Trp to other Aryl/Aryl through-space interactions that stabilize hairpins and other small polypeptide folds. Herein we detail the NMR and CD spectroscopic features of these types of interactions. NMR data remains the best diagnostic for characterizing the common T-shape orientation....

journal_title：Biopolymers

authors： Anderson JM,Kier BL,Jurban B,Byrne A,Shu I,Eidenschink LA,Shcherbakov AA,Hudson M,Fesinmeyer RM,Andersen NH

更新日期：2016-06-01 00:00:00

abstract：:An increasing number of RNAs are being discovered that perform their functions by undergoing large changes in conformation in response to a variety of cellular signals, including recognition of proteins and small molecular targets, changes in temperature, and RNA synthesis itself. The measurement of NMR residual dipol...

journal_title：Biopolymers

authors： Getz M,Sun X,Casiano-Negroni A,Zhang Q,Al-Hashimi HM

更新日期：2007-08-05 00:00:00

abstract：:The enzymatic activities of native myosin light chain kinases are subject to modification by interaction with Ca2(+)-calmodulin (CaM). The interaction between myosin light chain kinase isolated from turkey gizzard (tgMLCK) and calmodulin isolated from bovine testes (CaMbt) and wheat germ (CaMwg) has been examined by m...

journal_title：Biopolymers

authors： Garone L,Albaugh S,Steiner RF

更新日期：1990-01-01 00:00:00

abstract：:Elastin-like polypeptide (ELP) fusions have been designed to allow large-scale, nonchromatographic purification of many soluble proteins by using the inverse transition cycling (ITC) method; however, the sensitivity of the aqueous lower critical solubility phase transition temperature (T(t)) of ELPs to the addition of...

journal_title：Biopolymers

authors： Thapa A,Han W,Simons RH,Chilkoti A,Chi EY,López GP

更新日期：2013-01-01 00:00:00

abstract：:The IR data for the R1 CO-O-CHR2 -CO-NHR3 derivatives are interpreted in terms of a H…π interaction involving the NH bond and the π orbitals of the ester function and giving rise to a high ν(CO) frequency and a low ν frequency. The resulting molecular conformation corresponds to the angular values ϕ # -90°, ψ # 0°. ...

journal_title：Biopolymers

authors： Boussard G,Marraud M

更新日期：1981-01-01 00:00:00

abstract：:The conformational study on Arg-Gly-Asp (RGD)-containing tetrapeptides in the unhydrated and hydrated states has been carried out using the force field ECEPP/3 and the hydration shell model. The tetrapeptides studied here are H-RGDX-OH (X = Trp, Tyr, Phe, Leu, Val, Cys, Gln, and Ser), which show the inhibitory activit...

journal_title：Biopolymers

authors： Park HS,Kim C,Kang YK

更新日期：2002-04-15 00:00:00

abstract：:Aqueous solutions of DNA fragments with a contour length (500 A) near the persistence length at DNA concentrations ranging from 10 to 290 mg/mL solvent and a constant supporting electrolyte concentration of 0.01 M (predominantly NaCl) were examined by 23Na-nmr spectroscopy at temperatures of 20, 40, and 60 degrees C. ...

journal_title：Biopolymers

authors： Strzelecka TE,Rill RL

更新日期：1990-01-01 00:00:00

abstract：:Structural data produced by a 2-ns molecular dynamics (MD) simulation on Geobacillus alanine racemase (AlaR; PDB: 1SFT) was used to study hydration around the two AlaR active sites. AlaR is a crucial enzyme for bacterial cell wall biosynthesis. It has been shown previously that the potency of an inhibitor can be incre...

journal_title：Biopolymers

authors： Huang HC,Jupiter D,Qiu M,Briggs JM,Vanburen V

更新日期：2008-03-01 00:00:00

abstract：:Small multidisulfide-containing proteins are attractive structural templates to produce a biologically active conformation that mimics the binding surface of natural large proteins. In particular, the structural motif that is evolutionary conserved in all scorpion toxins has a small size (30-40 amino acid residues), a...

journal_title：Biopolymers

authors： Vita C,Vizzavona J,Drakopoulou E,Zinn-Justin S,Gilquin B,Ménez A

更新日期：1998-01-01 00:00:00

abstract：:The physicochemical characteristics of the green fluorescent protein (GFP), including the thermodynamic properties (entropy, enthalpy, Gibbs' free energy, heat capacity), normal mode vibrations, and atomic fluctuations, were investigated. The Gaussian 03 computational chemistry program was employed for normal mode ana...

journal_title：Biopolymers

authors： Krasnenko V,Tkaczyk AH,Tkaczyk ER,Farkas O,Mauring K

更新日期：2005-06-15 00:00:00

abstract：:Surfactant protein C (SP-C) is an important constituent of lung surfactant (LS) and, along with SP-B, is included in exogenous surfactant replacement therapies for treating respiratory distress syndrome (RDS). SP-C's biophysical activity depends upon the presence of a rigid C-terminal helix, of which the secondary str...

journal_title：Biopolymers

authors： Brown NJ,Lin JS,Barron AE

更新日期：2019-06-01 00:00:00

abstract：:Partially acetylated, high molecular weight glucuronans were produced by a Sinorhizobium meliloti mutant strain. Two native glucuronan samples with various degrees of acetylation were sonicated to obtain lower molecular weight samples and with low viscosity suitable for chemical modification and (13)C NMR experiments....

journal_title：Biopolymers

authors： Pau-Roblot C,Petit E,Sarazin C,Courtois J,Courtois B,Barbotin JN,Séguin JP

更新日期：2002-06-01 00:00:00

abstract：:The (GA)(n) microsatellite has been known from previous studies to adopt unusual, ordered, cooperatively melting secondary structures in neutral aqueous solutions containing physiological concentrations of salts, at acid pH values or in aqueous ethanol solutions. To find more about the primary structure specificity of...

journal_title：Biopolymers

authors： Kypr J,Kejnovská I,Vorlícková M

更新日期：2007-11-01 00:00:00

abstract：:The DNA-binding protein HU from Bacillus stearothermophilus (HUBst) is a dimer with a molecular weight of 195 kDa that is capable of bending DNA. An x-ray structure has been determined previously [Tanaka et al. 1984) Nature, vol. 310, pp. 376-381], but no structure could be established for a large part of the supposed...

journal_title：Biopolymers

authors： Boelens R,Vis H,Vorgias CE,Wilson KS,Kaptein R

更新日期：1996-01-01 00:00:00

abstract：:Purified integral membrane proteins require amphipathic molecules to maintain their solubility in aqueous solutions. These complexes, in turn, are used in studies to characterise the protein structures by a variety of biophysical and structural techniques, including spectroscopy, crystallography, and cryo-electron mic...

journal_title：Biopolymers

authors： Ireland SM,Sula A,Wallace BA

更新日期：2018-08-01 00:00:00

abstract：:The structure of a bacterial cell wall may alter during bacterial reproduction. Moreover, these cell wall variations, on a nanoscale resolution, have not yet fully been elucidated. In this work, Raman spectroscopy and atomic force microscopy (AFM) technique are applied to evaluate the culture time-dependent cell wall ...

journal_title：Biopolymers

authors： McEwen GD,Wu Y,Zhou A

更新日期：2010-02-01 00:00:00

abstract：:In our continuing series of measurements of the complex index of refraction for representative samples of biological materials, we measured ovalbumin (egg albumin) over the spectral region from 0.130 (76,923 cm(-1)) to 2.50 microm (4000 cm(-1)). Films of ovalbumin suitable for optical analyses were prepared and measur...

journal_title：Biopolymers

authors： Arakawa ET,Tuminello PS,Khare BN,Milham ME

更新日期：2001-01-01 00:00:00

abstract：:Dynamic and static intensity light scattering techniques were employed to identify conditions allowing preparation of homogeneous solutions of distinct oligomeric states of RecA protein. These hydrodynamically distinguishable oligomer populations of RecA protein were obtained in homogeneous pure quantities sufficient ...

journal_title：Biopolymers

authors： Budzynski DM,Gao X,Benight AS

更新日期：1996-04-01 00:00:00

abstract：:Fe(III)-Mimochrome VI (MC6) is a recently reported artificial heme-peptide conjugate system with a high peroxidase-like activity. By design, its structure features a five-coordinated Fe(III)-deuteroporphyrin active site, embedded in a compact α-helix-heme-α-helix "sandwich" motif. Up to now, no detailed MC6 structural...

journal_title：Biopolymers

authors： Perrella F,Raucci U,Chiariello MG,Chino M,Maglio O,Lombardi A,Rega N

更新日期：2018-08-01 00:00:00