ライフサイエンスコーパス: conformer

1 es ring dynamics towards the (2)SO-skew boat conformer.

2 TT and reducing the presence of a toxic mHTT conformer.

3 e of the single stranded head to head (SSHH) conformer.

4 O3LYP/6-311++G(3df,3pd)) for the most stable conformer.

5 fferences in the diffusion barriers for each conformer.

6 and a downfield value corresponds to a trans conformer.

7 er lies 0.5 kcal/mol higher than the 3-Phaxo conformer.

8 strate/ion-loaded into a substrate-releasing conformer.

9 f the directed transition state and reaction conformers.

10 ism (TDDFT-ECD) calculations of the solution conformers.

11 and their dipeptides emerge as lowest-energy conformers.

12 try (TWIMS) of poorly resolved or unresolved conformers.

13 eflecting interactions involving alternative conformers.

14 tein aggregates, and stable amyloid or prion conformers.

15 tructure ensembles using a minimal number of conformers.

16 binding-coupled folding into tunable helical conformers.

17 er polar CDR3 mutations recognize both Abeta conformers.

18 ADH populations are composed of two distinct conformers.

19 eal means to study the elusive axial/diaxial conformers.

20 tachment, and there was evidence for several conformers.

21 nd provide definitive identification of both conformers.

22 resolved CCS distribution or, for z > 9, two conformers.

23 through the correct sampling of the involved conformers.

24 with no evidence of clustering to particular conformers.

25 t as equilibrating mixtures of two symmetric conformers.

26 bilization of small (dimeric) nontoxic Abeta conformers.

27 tronic interactions that stabilize the axial conformers.

28 nd the interconversion between two different conformers.

29 n and atomic-level characterization of these conformers.

30 -IM-MS experiments at 200 K resolve multiple conformers.

31 50-totaling 4000 molecules and 62 different conformers.

32 nt to direct a DMD search for low-energy RNA conformers.

33 n the active and autoinhibited alpha-catenin conformers.

34 lization that toxicity may reside in soluble conformers.

35 Two conformers, 1-ax and 1-eq, were located on the potential

36 rotein misfolding into aggregation-competent conformers, (2) subsequent formation of oligomeric speci

37 ate-Zn(2+) coordination geometry and a minor conformer (30%) with monodentate hydroxamate-Zn(2+) coor

38 e syn conformer 6syn to the less stable anti conformer 6anti is DeltaG() = 104 kJ mol(-1) at 298 K.

39 gy for the conversion of the more stable syn conformer 6syn to the less stable anti conformer 6anti i

40 inding conformers for the inhibitor: a major conformer (70%) with canonical bidentate hydroxamate-Zn(

41 rientation of bond dipoles in the equatorial conformer, a destabilizing electrostatic effect that is

42 anner as prions, Mcc naturally exists as two conformers: a beta-sheet-rich, protease-resistant, aggre

43 ures of rapidly interconverting enantiomeric conformers able to recognize a chiral analyte and greatl

44 ants can vary significantly, with additional conformers accessed in some cases.

45 -membered lactone an energetically favorable conformer adopts a nearly synperiplanar Pd/endo-beta-H a

46 ings caution that the observation of compact conformers after collisional excitation does not imply t

47 the positions and populations of spin-label conformers against intradomain paramagnetic relaxation e

48 The resolution of the four conformers allowed for the construction of atomic models

49 e low-lying local triplet state of the axial conformer also means that this quasi-axial CT is an effe

50 ield chemical shift value corresponds to cis conformer and a downfield value corresponds to a trans c

51 s of tetrahydropapaverine (THP; one as the S conformer and a second in the R configuration) (dmin = 1

52 the Si-Ph than of the Si-O bond in the Phax conformer and additional destabilization of 3-Pheq confo

53 dered rigid; the position of each spin-label conformer and the structure of each protein conformer ar

54 triplexes, composed of two "embracing" Tri2 conformers and a "third-wheeling" Tri1, fasten the capsi

55 r entities: the right-handed and left-handed conformers and a nonhelical domain.

56 ectly interact with each other and with MAD2 conformers and are regulated by MPS1 kinase, providing c

57 ly large number of combinations of sidechain conformers and backbone fragments to locally explain the

58 odule to two partially extended intermediate conformers and finally to a fully upright state.

59 We have determined the structures of both conformers and have characterized the kinetics and energ

60 eover, length of the carbon chain, number of conformers and hydrophobicity contributed to a lesser ex

61 ate analysis of m/z-coincident species, both conformers and multimers.

62 nal results, indicating that major gas-phase conformers and tautomers of neutral AA do not support th

63 Therefore, compared to traditional single-conformer approaches in implicit environments, solid-sta

64 a structure determined by traditional single-conformer approaches.

65 in solution comprises a dynamic ensemble of conformers, approximately half of which are compact conf

66 conformer and the structure of each protein conformer are defined by three and six orthogonal parame

67 C1') chemical shifts of C43 for the dominant conformer are similar to those of a free CMP, but those

68 These two conformers are engaged in the interconversion process.

69 HOCO is observed, whereas both cis and trans conformers are found for deuterated carboxyl radical DOC

70 igher levels, the populations of the stacked conformers are independent of salt concentration, and di

71 ction and the P1 switch helix of the two apo conformers are notably different from those in the ligan

72 Eight conformers are observed using ion mobility.

73 The reactive cyclobutylidene units of two conformers are significantly puckered, like cyclobutylid

74 it demonstrates that alpha-helical oligomers conformers are valid epitope for the development of futu

75 , as well as the population distributions of conformers, are similar in the frozen specimens used for

76 h, providing a means for interfacing the two conformers as well as the natural nucleic acid biopolyme

77 equilibrium between the compact and extended conformers as well as the oligomeric species.

78 nge of stereoisomers that can arise, such as conformers associated with the five membered chelate rin

79 This variant resembled the ADP-bound conformer at all times yet remained able to interact wit

80 rgetic contributions stabilizing the various conformers at different time points.

81 d conformations, the relative populations of conformers at high salt concentration, and the inter-dup

82 xtended charge states present in two or more conformers at room temperature, undergoing thermally ind

83 This assay is sensitive for abnormal PrP conformers at the earliest stages of preclinical prion d

84 roteins do not correspond to interconverting conformers, but rather to high numbers of intrinsically

85 trong stabilization of the higher-energy cis conformer by a nitrogen matrix.

86 mer and additional destabilization of 3-Pheq conformer by repulsion of unidirectional dipoles of the

87 We solve the structure of one of these conformers by cryo electron microscopy to near-atomic re

88 rion amplification (NAPA), in which dominant conformers bypass this requirement during particular int

89 t protein Mad2 (O-Mad2) to the active closed conformer (C-Mad2), bound to Cdc20.

90 rix propagation trajectories show that every conformer can access a large region of the potential ene

91 l D3-symmetric and heterochiral C2-symmetric conformers can be distinguished by NMR spectroscopy.

92 ndings are incompatible with the alternating conformer carrier for glucose transport but are consiste

93 internally hydrogen-bonded ("chelated enol") conformer (CE).

94 condary structure of pathological oligomeric conformers, characteristic of many neurodegenerative dis

95 structure these nitroso oxides exist as four conformers (cis/syn, cis/anti, trans/syn, and trans/anti

96 The higher-energy cis conformer decays to the lower-energy trans conformer via

97 The CSN conformers defined by cryo-electron microscopy and a nov

98 ate of interconversion of their enantiomeric conformers depends on solvent polarity.

99 taa,a (X-C(1)-C(2)-X/H) of the axial/diaxial conformers deviate substantially from 180 degrees , down

100 The conformers differ in the spectral properties and in the

101 nding envelopes of exofacial GLUT1 and GLUT4 conformers differ significantly.

102 gas phase only three (3) and two (4) stable conformers differing in the axial or equatorial location

103 nhances rigidity and dramatically shifts the conformer distribution toward perfect bowls.

104 The in-depth investigation of substrate conformers during the reaction turned out to be crucial

105 ingly, in all these peptides exclusively one conformer, either cis or trans, is stabilized.

106 NL trimer expression amid heterogeneous Env conformers, even with the addition of stabilizing mutati

107 n fragility and growth between the different conformers explains how the change in incubation conditi

108 However, a second predominant conformer family containing two sequential gamma-turns i

109 e that these proteins can exist as different conformers, favoring functional diversity, a moonlightin

110 flexibility that determines how alternative conformers fit into the different active site architectu

111 e(N4-C5-S6) dominate the molecular dynamics (conformer flexibility).

112 protein ubiquitin can sustain a zwitterionic conformer for all charge states up to 14+, despite havin

113 ntification of the most stable tautomers and conformers for both neutral and anionic AA and determine

114 A complex, which reveals two Zn(2+)-binding conformers for the inhibitor: a major conformer (70%) wi

115 Although both conformers form hetero-oligomeric complexes in TDE, only

116 ivity with at least two different oligomeric conformers from Alzheimer's, Parkinson and/or Prion dise

117 ecular characteristics of native tau protein conformers from TgP301S tau mice and show that seed-comp

118 Our results suggest that the 5'-N, 3'-S conformer gives rise to the (6-4) photoproduct.

119 ur detailed comparative study of the PrP(Sc) conformers has revealed major differences between the tw

120 pectra indicate that one of the major Arctic conformers has surprisingly high structural similarity w

121 ntly, donors or acceptors with more than one conformer have negative repercussions for TADF in organi

122 le approach, we found that the cis and trans conformers have different positions and orientations in

123 flexible macrocycles if, and only if, their conformers have similar shapes.

124 forms, the results provide evidence for new conformers having at least some well-defined structural

125 layer membranes on conformer preferences and conformer heterogeneity of an important channel-forming

126 These conformers hybridize to each other with exquisite affini

127 e cytosol and converts it to an intermediate conformer (I-Mad2), which can then bind and inhibit the

128 zed by deposition of tau fibrils composed of conformers (i.e. strains) unique to each illness.

129 assays, we identified a chloride-channeling conformer, iChS, transiently accessible as EAAT1 reconfi

130 e is a general trend of predominance of Phax conformer in the gas phase and of Pheq in solution.

131 a selective role for the M1-paired class II conformer in the presentation of cognate antigen.

132 ed from the relative abundance of the folded conformer in these rapid mixing experiments compared to

133 The pure CE conformer in water has a slightly red-shifted UV spectru

134 actions account for the stabilization of the conformer in which the C-2 and C-3 substituents adopt ps

135 toxic conversion of physiological alpha-syn conformers in a reversible manner that is amenable to th

136 and transiently formed thermally accessible conformers in equilibrium with the native state of immat

137 ment the presence of physiological alpha-syn conformers in human midbrain dopamine neurons and tested

138 tructural analyses provide a static image of conformers in solution that sometimes present conflictin

139 We experimentally identified NMR-derived conformers in solution, which combined with molecular mo

140 Proportions of conformers in the equilibrium revealed the highest repul

141 ce of salts affects the evolution of protein conformers in the final stages of dehydration of the ESI

142 ionic compounds which are detected as single conformers in the gas phase.

143 y indicating the binding sites for the major conformers in the presence of multiple coordination poss

144 led a strong preference for the acylation of conformers in which the alpha-substituent occupies the a

145 these peptides showed a number of low-energy conformers, including ribbonlike structures pleated arou

146 nterface flexibility in favor of an extended conformer increased activity.

147 lecular weight (HMW) physiological alpha-syn conformers into compact, assembly-state intermediates by

148 e relative stability of the oxocarbenium ion conformers involved, as assessed by calculating the free

149 way, while formation of a stable periplasmic conformer involves an export-related, folding pathway no

150 in two different conformations, in which one conformer is closer to Ser 70 while the other conformer

151 proteins, and we hypothesized that the toxic conformer is composed of alpha-sheet structure.

152 n rather than simple population of the trans conformer is critical for both nucleation and subsequent

153 basis to explain why only the all-beta XCL1 conformer is effective against HIV-1.

154 an extended conformation, whereas a compact conformer is favored during the final stages of dehydrat

155 such that, upon reduction, the major product conformer is generated directly.

156 The minor conformer is not visible in lower resolution structure d

157 onformer is closer to Ser 70 while the other conformer is positioned closer to Ser 130, which support

158 This conformer is stabilised by an electrostatic interaction

159 The ratio of the conformers is 3-Pheq:3-Phax = (75-77):(23-25) and 4-Pheq

160 rmal prion protein (PrP) into pathogenic PrP conformers is central to prion disease, but the mechanis

161 termination of relative populations of these conformers is difficult to obtain by ensemble measuremen

162 c interactions, and relative energies of the conformers is done.

163 nversion between the C5-C6 s-trans and s-cis conformers is facile.

164 he high conformational selectivity toward Cs-conformers is templated by the twofold coordination to A

165 enantiomers M2 and M2'; the exchange between conformers is very fast, and conformational effects on (

166 3) The GLUT1 exofacial conformer lacks a CB binding site.

167 06-2X, MP2 calculations indicate that 3-Pheq conformer lies 0.5 kcal/mol higher than the 3-Phaxo conf

168 , and serum amyloid A, misfold into distinct conformers linked to different clinical diseases through

169 ural characteristics suggests that different conformers may play an important role in the pathogenesi

170 [2GA + 2Na](2+) IM-MS profiles with reduced conformer microheterogeneity.

171 The major conformer observed experimentally features a type-I beta

172 -IM-MS unambiguously reflect the ensemble of conformers observed in the solution phase.

173 Intrinsically disordered protein (IDP) conformers occupy large regions of conformational space

174 Compared to empty HLA-F open conformers (OCs), HLA-F tetramers bound with human-deriv

175 aused by the structural flexibility of every conformer of AITC, the analysis provides a general expla

176 We show that only the native conformer of benenodin-1 is cleaved by its cognate isope

177 ytochrome c [M + 5H](5+) ions present in one conformer of CCS approximately 1200 A(2), undergoing com

178 onformational families, which compact to one conformer of CCS approximately 1750 A(2) at 365 K, in li

179 These domains recognize the left-handed conformer of dsDNA and dsRNA known as Z-DNA/Z-RNA.

180 tion of the TF-FVIIa complex with the active conformer of integrin beta1.

181 The smaller conformer of melittin has fewer cleavage sites along the

182 ttached kinetochores convert the latent open conformer of the checkpoint protein Mad2 (O-Mad2) to the

183 suggests that IREDs may be able to bind one conformer of the imine substrate such that, upon reducti

184 unit, FAKV's clamp protein bound at only one conformer of the major capsid protein.

185 ill generate different responses on the same conformer of the probe.

186 Several conformers of 1,2-propanediol are investigated and found

187 opposite conformational predominance of the conformers of 3-methyl-3-silatetrahydropyran in the gas

188 with the solution-phase studies, one of the conformers of [YA(D)PAA+H](+) is folded into a charge-st

189 pports the thesis that stabilizing non-toxic conformers of a plastic protein is a viable strategy for

190 y, our findings reveal that specific soluble conformers of Abeta and tau cooperatively disrupt axonal

191 All cosolutes stabilized compact conformers of CaM and modulated association kinetics by

192 Conformers of carboxyl radical (HOCO) have been studied

193 Methyl substitution of CH2OO produces two conformers of CH3CHOO and consequently complicates the i

194 s was performed to determine the most stable conformers of chlorogenic, cryptochlorogenic, and neochl

195 to highlight the presence of poorly resolved conformers of crown ether complexes and peptides leading

196 in detail and shown to closely resemble the conformers of cyclooctane.

197 The conformers of epimers (1S)-2e,f show high rotational bar

198 In a nitrogen matrix, both conformers of HOCO and DOCO isotopologues can be prepare

199 at in water the two s-trans nonchelated enol conformers of MA become thermodynamically more stable th

200 This paper analyzes the axial conformers of monohalo- and (+/-)-trans-1,2-dihalocycloh

201 rrently targeting all the intermediate toxic conformers of oligomeric Abeta and tau species.

202 wo CT states link directly to the two folded conformers of phenothiazine.

203 yl ring in both the axial and the equatorial conformers of phenyl substituted 1,3-dioxanes and tetrah

204 tasis network and equipped it with different conformers of proteins.

205 The preferred substrates were the R and S conformers of reticuline and the aporphine (S)-corytuber

206 s FTFlex performs mapping for all low-energy conformers of side chains in the binding site, its compl

207 rged monomer of the peptide gramicidin A and conformers of the [M + 5H](5+) form of the peptide melit

208 me scale between the two chiral twisted-boat conformers of the chelated COD included in the already c

209 racemization barrier for the two cyclochiral conformers of the Ir(I) chelated COD was 5 kcal mol(-1)

210 lations to determine and analyze prereaction conformers of the nerve agent antidote HI-6 in complex w

211 The most stable conformers of the neutral keto and enol tautomers differ

212 The relative energies of the conformers of the Pd sigma-complexes resulting from inse

213 cm(-1) have been assigned as cis- and trans-conformers of the PN ligand in 4.

214 Prions are composed of pathogenic conformers of the prion protein (PrP(TSE)).

215 In many instances, distinct conformers of the same sequence were observed, either as

216 simulations establish that the lower-energy conformers of TnIC are indeed varied, but that the highe

217 The calculations predicted two conformers of TSMT that differ in energy by more than 15

218 e equally populated enantiomeric screw-sense conformers of which are in slow exchange on the NMR time

219 xist as dynamic ensembles of interconverting conformers, often highly soluble in water.

220 S-dioxide exhibits only one quasi-equatorial conformer on both donor sites, with charge-transfer (CT)

221 to probe the effect of a minimum amount of S conformer on the photoreactivity of dinucleotides, is en

222 d to the suggestion that different molecular conformers (or strains) of aggregated Tau exist.

223 ce indicates that self-propagating aggregate conformers, or so-called strains, are associated with di

224 Ionic clouds of unresolved conformers overlap if the CCS difference is below the in

225 outer membrane (OM) and periplasmic trimeric conformers; PelB-MOSP, in contrast, formed only OM-MOSP

226 fect in rotational pausing at the tetrameric conformer poised for ligation.

227 operative mechanisms and assign the bimodal conformer populations observed.

228 Conformer preferences adopted in the lipid bilayer are m

229 the influence of lipid bilayer membranes on conformer preferences and conformer heterogeneity of an

230 The conformer preferences of GA dimers from 1,2-distearoyl-s

231 ture, and incubation time directly alter the conformer preferences of the complex.

232 turation can now be probed by monitoring the conformer preferences using IM-MS.

233 exists between the ensemble of abnormal PrP conformers present in blood and the relationship to infe

234 2) GLUT1 and GLUT4 exofacial conformers present multiple, adjacent glucose binding si

235 4) The inward GLUT1 conformer presents overlapping endofacial WZB117, d-gluc

236 ature of the Xaa side chain finely tuned the conformers ratio.

237 dition to delivering ensembles of accessible conformers reconstructed at atomic details based on the

238 These disease-associated conformers represent previously undetected Parkinson's d

239 structure in the analysis of solution phase conformers retained into the gas phase.

240 The most stable conformer reveals C2 -symmetry by forming two intermolec

241 ditions, the expression of soluble Alz50-tau conformers rose by approximately 2.2-fold in the forebra

242 lest sugar, glycolaldehyde, was studied in a conformer-selective manner using high-resolution rotatio

243 Changes in the free-energy differences of conformers show a linear dependence on the solvent hydro

244 enerate peptides that are biased to a single conformer, showing that the switching behavior is potent

245 demonstrate that the M1-paired MHC class II conformer, shown previously to be critical for CD4 T cel

246 heteronuclear NMR spectroscopy and multiple conformer simulations of crystallographic protomers as d

247 of sparsely populated and transiently formed conformers, some of which have aberrant nonnative struct

248 delta-Azaproline is conformer-specific in either of its protected or deprote

249 of delta-azaproline-containing peptides with conformer-specific locked diketopiperazines reveal the f

250 The cis-trans isomerization and conformer specificity of delta-azaproline and its carbam

251 tal interactions, also play a role in gauche conformer stabilization.

252 K6- and K11-linked diUbq adopt a mixture of conformers stabilized by either electrostatic interactio

253 s along the peptide backbone than the larger conformer suggesting considerable structural differences

254 esults show two distinct regimes of occluded conformer tendencies: 1) In frameworks with a large stab

255 ith 12 carbon acyl chains, yielded a nascent conformer that decreased in abundance as a function of b

256 spliced dimeric genomes selected, by the RNA conformer that directs packaging.

257 K resistance, suggesting the detection of a conformer that is different from both physiological, pre

258 155 and thereby forming a unique MHC/peptide conformer that is essential for recognition by TEIPP-spe

259 he exposed aromatic surfaces in the unfolded conformer that offset the stronger solvophobic effects f

260 Water adduction helps stabilize conformers that are otherwise energetically unstable ult

261 re in the process of productive folding from conformers that are trapped in an aberrant state.

262 thology and restored physiological alpha-syn conformers that associated with synapses.

263 these two activities are carried out by two conformers that can both load simultaneously on the orig

264 MGs are ensembles of interconverting conformers that contain (non-)native secondary structure

265 rium intermediates (i.e., populations of new conformers that form at elevated temperatures but subseq

266 receptor is in equilibrium between multiple conformers that in principle could recognize different b

267 phaS polymers are likely distinct aggregated conformers that may represent a unique prion-like strain

268 ent-invariant 3D representation of molecular conformers, the extended three-dimensional fingerprint (

269 s can be modeled as sums of the observed IMS conformers; this is strong evidence that ion mobility is

270 proving the selection of the -B(OH)2 syn-syn conformer through a pair of frontal H-bonds with the rel

271 y between inter- and intramolecular H-bonded conformer topologies for the same peptide template.

272 In an argon matrix, only the lower-energy conformer trans-HOCO is observed, whereas both cis and t

273 7H](7+) cytochrome c monomer presents as two conformers undergoing similar compaction and structural

274 onal switching between two distinct threaded conformers upon actuation by heat.

275 esponse of two tetra(4-bromophenyl)porphyrin conformers using non-contact atomic force microscopy whe

276 Both positive selection of cross-linked conformers using the quaternary epitope-specific bNAbs P

277 However, the abundances of NL trimeric conformers vary among Envs, necessitating purification b

278 s conformer decays to the lower-energy trans conformer via hydrogen-atom tunneling through the torsio

279 as phase, a slight predominance of the axial conformer was determined, with the ratio 1-ax:1-eq = 54(

280 abilization energy difference, only a single conformer was found (BEA, LTA and MFI).

281 dent (Al, B, Co, Mn, Ti, Zn) distribution of conformers was observed.

282 ss functional differences between these RRE 'conformers', we created conformationally locked mutants

283 oA residue is pushed towards the (1)C4-chair conformer when the neighboring residues are highly sulph

284 ) gradually converted to a new set of fibril conformers when subjected to multiple cycles of seeding

285 f a non-native [trans-MePro32]beta2m protein conformer, which readily formed oligomers at neutral pH.

286 pecies reflect the predominantly populated G conformers, which allows exploring their relevant dynami

287 The [D + 11H](11+) dimer presents as two conformers, which undergo slight structural compaction o

288 prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation

289 tations account for approximately 54% of the conformers whose catalytic domain directly interacts wit

290 ted using a reference ensemble with a set of conformers whose populations and structures are known.

291 endo-beta-H dihedral angle is observed for a conformer with a comparatively high potential energy.

292 van der Waals contact, plus an inactive (b) conformer with even longer DAD, establishing that stocha

293 ve site ground state contains a reactive (a) conformer with hydrogen DAD of approximately 3.1 A, appr

294 the experimental IR spectrum of the dominant conformer with the predictions of DFT M05-2X/6-31+G(d) c

295 terically hampered, which leads to separable conformers with axial chirality (i.e., atropisomers).

296 rates showed that for the same charge state, conformers with larger CCS present faster HDX rates in b

297 found a single macrocycle has 332 accessible conformers with olefins undergoing rapid interconversion

298 more than 45,000 first-principles predicted conformers with relative energies up to ~4 eV (~400 kJ/m

299 could result in the emergence of new fibril conformers with varied clinicopathological consequences.

300 unfolded and comprises an ensemble of random conformers, without any detectable residual structural p