ライフサイエンスコーパス: conformer

1 arrangement to a twisted, previously unseen conformer.

2 form a facially amphiphilic membrane-active conformer.

3 molecules that drive it to its PtdSer-bound conformer.

4 for their ability to resolve the unique open conformer.

5 t to the low-field methods that detected one conformer.

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

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

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

9 n-syn conformer is typically the predominant conformer.

10 e receptors to reorganize into the anti-anti conformer.

11 generation of the more active phosphorylated conformer.

12 ve the stability of the most active catalyst conformer.

13 llene), which was fully characterized as two conformers.

14 with overlapping contributions from its four conformers.

15 transformation discriminate among those HCH conformers.

16 vides fast spectroscopic analysis of peptide conformers.

17 g a larger population of metathesis-reactive conformers.

18 re p66/p51 heterodimer is present in 2 major conformers.

19 s that arise largely from different thiourea conformers.

20 lization that toxicity may reside in soluble conformers.

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

22 150-totaling 4000 molecules and 62 different conformers.

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

24 n the active and autoinhibited alpha-catenin conformers.

25 f the directed transition state and reaction conformers.

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

27 and their dipeptides emerge as lowest-energy conformers.

28 rin can affect the relative stability of the conformers.

29 rest of the chiral ligand limit the N-benzyl conformers.

30 der of magnitude for two otherwise identical conformers.

31 onformation, while heptoses prefer different conformers.

32 ormation that can differentiate isomers from conformers.

33 reveals changes in heme coordination between conformers.

34 any ambiguity resulting from the presence of conformers.

35 igh proportion of interactors common to both conformers.

36 icity became more ambivalent for other SERCA conformers.

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

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

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

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

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

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

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

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

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

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

47 A" conformation but with ~20% each of the WT conformer and an "O" state in which d(z)(2) Ni(p)(I) (g(

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

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

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

51 model that misfolded SOD1 exists as distinct conformers and forms deposits on mitochondrial subpopula

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

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

54 est a continuously evolving diversity of CWD conformers and imply a critical interplay between CWD pr

55 and their interactions, capturing transient conformers and their features.

56 Three conformers (anti, gauche, and folded) leading to electro

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

58 s only the syn-conformers are observed; anti-conformers are calculated to be removed much more rapidl

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

60 Activated conformers are highly sensitive to dynamin inhibition, s

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

62 me herein with theory indicates only the syn-conformers are observed; anti-conformers are calculated

63 t at least six unique types of CI-2 solution conformers are present.

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

65 he dual-hydrogen-bond-facilitating anti-anti conformer as is commonly assumed.

66 uce the possibility for misinterpretation of conformers as isomers.

67 d with either AMF7-63 or B8H10-reactive SOD1 conformers as well as a high proportion of interactors c

68 ld increased surface binding to amyloid-beta conformers as well as substantially more effective amylo

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

70 resolved the open conformer from the closed conformer at baseline or near-baseline resolution at typ

71 -trans (1tt) and s-cis,s-trans (1ct) product conformers at cryogenic temperatures in a N(2) matrix, a

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

73 nstrating stable propagation of these unique conformers between cells or animals.

74 They also revealed that closed-ring conformers bind and unwind several hundred base pairs of

75 the full-length alphavbeta(3) bent integrin conformer, but whereas the former are incorporated in th

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

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

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

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

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

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

82 The Y(trans)P conformation conformer can bind the HIV gp41 epitope, while the Y(cis

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

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

85 l accuracy, even for strained geometries and conformer changes where standard DFT fails.

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

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

88 anges in the mutual ratios of the individual conformers compared to the parent macrocycles.

89 It is critical to understand which conformers contribute to specific PD phenotypes.

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

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

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

93 The conformers differ in the spectral properties and in the

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

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

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

97 ract the thermodynamic binding constants and conformer distributions of analyte ligands using an in s

98 149, 44309 (2018)] but suggest different conformer distributions under jet-cooled and thermal con

99 This WT A-cluster conformer dominates the nearly conservative F229W varian

100 ctivity until the more active phosphorylated conformer dominates.

101 iors of activated and inactivated endogenous conformers during agonist treatment in living cells.

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

103 thetic challenges imparted by mutant protein conformers, dysfunctional subcellular organelles, and dy

104 In all cases, the open conformers exhibit dramatically improved DNP performance

105 Nonadaptive conformers exhibited unstable replication and accumulate

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

107 ge response to well-defined amyloid-beta1-42 conformers (fibrils, prion rod-like structures, and stab

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

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

110 the cyclosporins, we can separate different conformers for each isomeric form.

111 ESI-IM-MS reveals the presence of multiple conformers for the dimer, tetramer, and hexamer that pre

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

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

114 ruption of strong hydrogen bonding and novel conformer formation) and any associated changes on a pho

115 d instruments successfully resolved the open conformer from the closed conformer at baseline or near-

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 reduced thermostability upon cleavage to GP conformers (GP(CL)).

119 Interestingly, certain conformers, hardly accessible for common calixarenes/thi

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

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

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

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

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

125 ithin each charge state there are additional conformers having distinct solution temperature profiles

126 of the nu(C-S) bands of the trans and gauche conformer higher than 1.0 indicated the presence of muta

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

128 predict probable three-dimensional molecular conformers (i.e., conformational isomers) using chemical

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

130 iated variant developed to resolve misfolded conformers implicated in neurodegenerative disease.

131 rent methods because it adopts a high-energy conformer in its crystal structure.

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

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

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

135 uced the aggregation of self-propagating Tau conformers in a Tau cell culture model.

136 lations were used to generate the low-energy conformers in extra, intracellular, and membrane-inserte

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

138 rapeutic agents to disassemble toxic protein conformers in neurodegenerative disease.

139 ave been effectively used to identify active conformers in peptide-based drug discovery, but they usu

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

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

142 Proportions of conformers in the equilibrium revealed the highest repul

143 ing the fate of electro-sprayed cross-linked conformers in the gas phase, while constituting promisin

144 We found that the fraction of conformers in the NS5A-D2 ensemble that adopt the struct

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

146 ion from preloading conformers to the loaded conformers in which the loading of Mcm2-7 on DNA is comp

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

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

149 nce on ion heating, which can drive the open conformer into a compact or "closed" conformer shared wi

150 d by exciting an initial gas-phase molecular conformer into diverse conformation states, using soft m

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

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

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

154 One conformer is fully solvent accessible thereby accounting

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

156 y of tau filaments from CBD reveal that this conformer is heavily decorated with posttranslational mo

157 n-phase calculations show that the anti-anti conformer is increasingly stabilized as the polarity of

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

159 functional assay suggests that this compact conformer is peroxidase active.

160 hiosquaramides and croconamides, the syn-syn conformer is typically the predominant conformer.

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

162 st that the improved performance of the open conformers is correlated with higher solvent accessibili

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

164 a length-dependent reduced abundance of cis conformers is observed for terminal prolines.

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

166 phate, generate phosphorylated forms of both conformers, leading to a lag phase in activity until the

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 Similar ensembles of interconverting conformers may be common in multivalent WW domain-PPXY i

170 unique extended or "open" gas-phase sodiated conformer, not shared with the epimer, reducing the need

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

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

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

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

175 ort the first preparation of the s-cis,s-cis conformer of dihydroxycarbene (1cc) by means of pyrolysi

176 e presented NMR data suggests that the major conformer of EM-1 lacks internal hydrogen bonds.

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

178 calculations predict that the thermodynamic conformer of many of these anion receptors is not the du

179 rategy where the constitutively active dimer conformer of PDK1 may be rendered inactive by small mole

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

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

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

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

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

185 ought to arise from isomeric structures were conformers of a single structure.

186 SA, consistent with the presence of distinct conformers of assembled alpha-synuclein in these differe

187 at the formation and propagation of distinct conformers of assembled tau underlie different neurodege

188 The axial conformers of both 2-methoxy- and 2-trifluoromethoxytetr

189 IA-QCLMS approach distinguished pH-dependent conformers of both proteins.

190 Conformers of carboxyl radical (HOCO) have been studied

191 stability (thermostability) of the prefusion conformers of class I viral fusion glycoproteins, includ

192 Both conformers of diphenanthrioctaphyrin, as well as the bor

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

194 The preferred conformers of KO and KDO favor hItln-1 engagement, but t

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

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

197 cally the efficiency of sieving of different conformers of propane through the hypothesized triangula

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

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

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

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

202 ls reveal structural plasticity among the 20 conformers of the major capsid protein, 2 conformers of

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

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

205 20 conformers of the major capsid protein, 2 conformers of the small capsid protein (SCP), 4 conforme

206 ormers of the triplex monomer proteins and 2 conformers of the triplex dimer proteins.

207 formers of the small capsid protein (SCP), 4 conformers of the triplex monomer proteins and 2 conform

208 number of transitions between the different conformers of the WNV frameshift signal was maximal in t

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

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

211 Cu(II)-bound species results in two primary conformers-one that is compact and another that is more

212 It has two conformers, only one of which is capable of dimerization

213 of favorable error cancellation in comparing conformers or stereoisomers.

214 duals with DLB, which suggests that distinct conformers or strains characterize specific synucleinopa

215 the existence of distinctive alpha-synuclein conformers or strains.

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

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

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

219 The resulting conformer pools balance goodness-of-fit with ligand stra

220 ional heterogeneity of proteins and also how conformer populations can be altered on transfer from so

221 of mixtures and/or determination of peptide conformer populations.

222 nucleoside phosphonates exist in solution as conformers predominantly adopting a chair structure in w

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

224 chain-the latter identified as the gas-phase conformer preserved on the surface.

225 nsity to adopt non-binding competent proline conformers provides novel insight into the slow binding

226 rion protein (PrPC) misfolding into abnormal conformers (PrPSc), with PrPSc underpinning both transmi

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

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

229 However, the syn-syn conformer remains the lowest energy conformation for cro

230 To identify the conformers responsible for the extremely dense rotationa

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

232 They are often depicted as single conformer salt bridges (hydrogen-bonded ion pairs) in cr

233 advances in gas phase laser spectroscopy of conformer-selected peptides have paved the way to a bett

234 hat includes experimental constraints during conformer selection.

235 he open conformer into a compact or "closed" conformer shared with the epimer.

236 rotein components and capture three distinct conformers showing the Galpha(T) helical domain (alphaHD

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

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

239 ed conformational transitions, but also from conformer-specific effects, such as steric frustration.

240 ahydro-2-furoic acid (THFA) was studied in a conformer-specific manner using rotational spectroscopy

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

242 m (ER) contains a pool of two unliganded MR1 conformers stabilized via interactions with chaperones t

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

244 showed the adoption of a low-energy L-shaped conformer that favors HDAC8 selectivity.

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

246 led timescales and the fact that many of the conformers that are continually explored are only transi

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

248 HCHs exist as different conformers that can be converted into each other, and th

249 ycle was demonstrated to exist as two locked conformers that can be easily separated and handled indi

250 increases the levels of peptide-empty MHC-I conformers that can be loaded with peptide in this compa

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

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

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

254 eptide bond results in the population of two conformers that have different activities owing to repos

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

256 little is known about the native structural conformers that initiate aggregation.

257 the CRD3 loop that exists as two predominant conformers that interconvert on a slow timescale.

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

259 powerful tool to trap and stabilize Abeta42 conformers that might otherwise be too transient and dyn

260 Ps) are dynamic ensembles of interconverting conformers that often contain many proline residues.

261 Prion strains are aggregated conformers that stably propagate in vivo and cause disea

262 roduced occupancy-weighted ensembles of many conformers that were generally better-quality density fi

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

264 Since ISVPs have an extended sigma1 conformer, this finding suggests that alpha-SA binding t

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

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

267 ing nearly identical tandem mass spectra for conformers, thus allowing confident identification of is

268 eveal the dynamic transition from preloading conformers to the loaded conformers in which the loading

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

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

271 es into an elemental, catalytically inactive conformer unable to load NTP substrate.

272 n used to characterize the canonical X-shape conformers under specific ionic conditions, the complete

273 d suggest that transitions between different conformers under tension are linked to efficient PRF sti

274 d, the entropies and enthalpies of different conformers undergo dramatic changes in magnitude and rel

275 n replication, distinct co-existing PrP(CWD) conformers underwent competitive selection, stabilizing

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

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 osition did not behave well unless the axial conformer was energetically accessible, which is consist

280 The conversion of conformers was proven to be facilitated by the presence

281 Turn conformers were shown to be important for receptor affin

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

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

284 found to enhance the formation of the folded conformer, which leads directly to exciplex formation.

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

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

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

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

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

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

291 tered disease phenotypes select for specific conformers with favorable loop sequences.

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

293 ties based on MO interactions of most stable conformers with nucleophiles.

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

295 tures for one or a few adjacent well-defined conformers with type C behavior.

296 ons identify models for these two tetrameric conformers with unique interactions and interfaces that

297 e conclude that PD and MSA feature alpha-syn conformers with very distinct biochemical properties tha

298 nions, on the other hand, preferred the anti conformer (with gauche populations of 35% and 55%, respe

299 pectroscopy experiments reveal two different conformers within the transmembrane regions of the prote

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