ライフサイエンスコーパス: binding mode

1 face, which greatly influences Spike protein binding mode.

2 lts and provided insight into the host-guest binding mode.

3 e-dimensional structures indicating a stable binding mode.

4 4 with human CD73 demonstrates a competitive binding mode.

5 ost consistent with a eta(1) :eta(1) -alkane binding mode.

6 semaphorins can mediate a distinctive plexin binding mode.

7 mitations, and also enlighten their receptor binding mode.

8 racterized its unexpected Mg(2+)-independent binding mode.

9 ngages Tudor domains 1 and 2 via a bidentate binding mode.

10 )-C(25) bond on conformational stability and binding mode.

11 on-Aldol sequence via the dual hydrogen-bond binding mode.

12 ystal structures to gain insights into their binding mode.

13 s, which binds choline in a unique dual-site-binding mode.

14 t bind to the heme iron atom and has a novel binding mode.

15 n in an unprecedented mu(2) :eta(2) ,eta(2) -binding mode.

16 te zinc ion of CSN5 through an unprecedented binding mode.

17 for identifying substitutions that alter the binding mode.

18 hitecture, its active site, and the cofactor binding mode.

19 ral mutations via modulation of the receptor-binding mode.

20 onist and the description of its orthosteric binding mode.

21 ystallographic studies reveal the ZNF410-DNA binding mode.

22 onists with, however, a unique high-affinity binding mode.

23 ata of 8a-bound hDDAH-1 illuminated a unique binding mode.

24 ligand of LILRB1, MHC class I, in its LILRB1-binding mode.

25 re equally avid for GR by occupying discrete binding modes.

26 hain FEP simulations, performed on alternate binding modes.

27 ns or to bind the same ligand with alternate binding modes.

28 hange between different hybridization states/binding modes.

29 eceptor activity and evaluated the different binding modes.

30 vity and with an altered distribution of DNA binding modes.

31 by computational elucidation of the possible binding modes.

32 veloped with low potency and uncharacterized binding modes.

33 appropriate linkers for distinct multivalent binding modes.

34 apping epitopes but highly distinct antibody-binding modes.

35 ing loop regions lead to different preferred binding modes.

36 ochemistry is important to elucidate precise binding modes.

37 highly selective inhibitors with unexpected binding modes.

38 ve been classified on the basis of different binding modes.

39 , in that they can exhibit a wide variety of binding modes.

40 es, and with distinct and mutually exclusive binding modes.

41 ibitors bind to the protease in two distinct binding modes.

42 e characterization of three different Mg(2+) binding modes: 1) direct binding via N7 coordination, 2)

43 ate can engage an E3 ligase through multiple binding modes, affecting its degradation timing and effi

44 This binding mode allows the enzyme to be neutralized before

45 basis of a homology model we argue that this binding mode also applies to the human PepT1 transporter

46 amine nearest-neighbor cooperativity in each binding mode and between binding modes using (dT)(70) an

47 zing modifications do not affect the overall binding mode and how key interactions are preserved.

48 onally-guided identification of the Rb:hIgG1 binding mode and leveraged the resulting model to reengi

49 olecular dynamics simulations to examine the binding mode and mechanism of the photoacids and its inf

50 ssessment of the transferability of combined binding mode and mutation data across ligand chemotypes

51 nbinding pathway identifying the most stable binding mode and other thermodynamically relevant poses.

52 activates the substrate through a two-point binding mode and poises a coordinated diisopropylzinc mo

53 he magnitude of stabilization was related to binding mode and selectivity between the triple helix an

54 Together, these findings establish a new binding mode and specificity among McrB homologs and exp

55 t ligand can be used to characterize the PAM binding mode and that it is a valuable tool compound in

56 target for berberine but also dissects their binding mode and validates that berberine indeed suppres

57 lunisal revealed a previously unknown ligand-binding mode and was consistent with the results of inhi

58 An in-depth understanding of cell-drug binding modes and action mechanisms can potentially guid

59 cture-based optimization guided by predicted binding modes and analogs from commercial chemical libra

60 We suggest that variable LH binding modes and concentrations are advantageous, allow

61 The binding modes and conformations of HliD-bound pigments a

62 teins (IDPs) can display a broad spectrum of binding modes and highly variable binding affinities whe

63 positions on the methylxanthine core dictate binding modes and inducible-complementarity with a PARG-

64 either 4 or 18 displayed virtually identical binding modes and interactions, highlighting the challen

65 lasses of KMO inhibitors with differentiated binding modes and kinetics.

66 We describe the binding modes and mechanistic effects of these ligands,

67 sults reveal previously unobserved inhibitor binding modes and promising scaffolds for the generation

68 Computational analysis of binding modes and protein contacts indicates that macaqu

69 distribution of La may be linked to its RNA-binding modes and provide the first evidence for a direc

70 ar dynamics (MD) to characterize PI(4,5)P(2) binding modes and sites on ANO1.

71 various functions depending on distinct RNA-binding modes and their subcellular localization.

72 ar dynamics (MD) simulations, we resolve two binding modes and three unbinding reaction pathways of a

73 as a model study allowed to determine their binding modes and thus to set the structural determinant

74 ting such nano-objects with fully controlled binding modes and understanding their fundamental proper

75 on, e.g., lectin's binding site orientation, binding mode, and interbinding site spacing, which are c

76 Their aggregation, binding mode, and morphology can be tuned by external st

77 These compounds have diverse binding modes, and both reversible and irreversible inhi

78 cognize histones in nucleosomes via distinct binding modes, and many of these interfaces utilize acid

79 y analyzing metal chelation, identifying new binding modes, and studying protein binding from a mixtu

80 D) or docked against the RBD to identify new binding modes, and their amino acid sequences were desig

81 The observed binding modes appear to anchor the Dsl1 complex to the E

82 Two types of histone binding modes are detected: interfaces conserved in most

83 Fluctuations in these binding modes are linked to negative regulation of actin

84 Two binding modes are observed with the fully mature VLP, wi

85 The most potent, with new binding modes, are 56- and 64-residue proteins (IC(50) ~

86 synthetic chemokines that adopt a different binding mode as compared to the parent compound.

87 olecule, JJC8-091, that demonstrates a novel binding mode at the dopamine transporter (DAT).

88 f the D-1T MoS(2) support by tuning hydrogen binding mode at the interface.

89 e binding also occurs in the (SSB)65/(SSB)56 binding modes at physiological salt concentrations conta

90 y predict the assembly outcomes based on the binding mode between GNP-glycans and lectins.

91 the interaction, documenting a noncanonical binding mode between MBL and beta2-GPI.

92 45 engages the HIPK2 active site in a hybrid binding mode between that seen in structures of CK2alpha

93 eory calculations, we studied five plausible binding modes between the guanidine catalyst and substra

94 ese inhibitors were shown to possess a novel binding mode by X-ray crystallography, in which the tria

95 rane contact or enables specialized membrane-binding modes by these Ca(2+) sensors.

96 showing that the most common aptamer-target binding modes can be coupled to a FIT-based readout.

97 we find that for 41 of 297 pairs (14%), the binding mode changes upon elaboration of the smaller lig

98 nd establishes "signature mutants" for P2X7R binding-mode characterization.

99 R binding and agonist potency and a distinct binding mode compared with its analogue 3.

100 otein although with a considerably different binding mode compared with other AA9 complex structures.

101 This unique binding mode compared with the small-molecule inhibitors

102 ls were built on the basis of compounds with binding modes confirmed by X-ray crystallography and yie

103 ain the residues underlying this cooperative binding mode; consequently, the direct cell killing of m

104 The structures reveal different binding modes consistent with the binding to the beta-cl

105 While different binding modes could be necessary, given their roles in d

106 Our studies reveal an LH-variant and binding-mode dependent heterogeneous ensemble of fiber s

107 e of METTL5-TRMT112, supporting that its RNA-binding mode differs distinctly from that of other m6A R

108 This binding mode differs from that of pavine NMT, in which t

109 This binding mode does not allow optimal nucleophilic attack

110 s suggesting a transformation of the citrate-binding mode during desorption.

111 This new binding mode enabled efficient exploration of the vector

112 on antagonist sensitivity, and the proposed binding mode explains variation in antagonist sensitivit

113 sely, TCR-mimic antibodies tended to exhibit binding modes focused more toward hot spots on the HLA s

114 The binding mode for AdoCbl is notably different from that o

115 , and DFT calculations support an eta(2)-N,N binding mode for binding of N(2)O to the cobalt center.

116 achiral drug nifedipine reveals the general binding mode for DHP drugs, but the molecular basis for

117 el structure suggests a common transmembrane-binding mode for different KCNEs and illuminates how spe

118 This structure revealed a protease-binding mode for EapH1 with cathepsin-G that was globall

119 phically unattainable, a potential alternate binding mode for part of the NFAT4-JNK interaction, and

120 The structure reveals a unique ligand binding mode for the K1-cluster involving cysteine resid

121 uld enable detection of multiple protein-DNA binding modes for a given regulatory protein.

122 Different side-chain binding modes for bicyclic boronates for SBLs and MBLs i

123 e catalyst can have two different productive binding modes for one substrate but give different absol

124 tures of SUN2-KASH1/2 we observe alternative binding modes for these KASH peptides.

125 al for channel activation; we then generated binding modes for TRPA1-PIPC interactions using structur

126 n mammalian Munc13-1, displays two conserved binding modes: forming C2A/C2A homodimers, or forming a

127 ad followed for establishing the GABA(A)R/NS binding mode, from their initial molecular modeling to t

128 This binding mode further enables recognition of charged resi

129 and TrkC via a Type I and Type II inhibitor binding mode has proven challenging and Type III or Type

130 Two ligand binding modes have been identified as the lowest energy

131 lated CpG islands where its distinct dynamic binding modes help maintain open or closed chromatin, re

132 obes, are compared on the basis of different binding modes (i.e., monodentate vs bidentate) and the r

133 Precise binding mode identification and subsequent affinity impr

134 fications, yet insufficient knowledge on its binding mode impedes the hunt for superior analogues.

135 t the DFG-1 valine controlled a noncanonical binding mode in CLK1, providing a rationale for selectiv

136 in support or against the existence of such binding mode in solution.

137 und serotonin molecules toward an unexpected binding mode in the extended binding pocket.

138 dowed with remarkable potency and a distinct binding mode in the orthosteric PPARgamma ligand-binding

139 rapidly interconverts with a "hemispecific" binding mode in which a half site is probed.

140 ically similar but conformationally distinct binding mode in which the alpha-hydrogen of the Phe resi

141 s with the iron-bound 2OG adopting an online-binding mode in which the C1 carboxylate group of 2OG is

142 DFT calculations provide insight into binding modes in line with experimental data for these r

143 Biophysical studies have revealed two binding modes in the linker histone/nucleosome complex,

144 hese bivalent bioisosteres may adopt similar binding modes in the MOR and the "address" portions of t

145 ould enable the structural definition of new binding modes in the proteome.

146 h SPR, identifying relevant interactions and binding modes in the sepiapterin pocket.

147 Besides reproducing known binding modes in which PRC2 interacts with bare DNA, mon

148 nter with their free thiols in a monodentate binding mode, in sharp contrast to binding behaviors obs

149 n interacting with the HgII ion with various binding modes including N3-HgII-N3, N4-HgII-N3, O2-HgII-

150 The flipped substrate-binding mode indicates that two-electron reducing FDBRs

151 TCR3d provides key information on antigen binding mode, interface features, loop sequences and ger

152 aphy, we observed an unanticipated VNRX-5133 binding mode involving cyclization of its acylamino oxyg

153 , our data imply an overlapping but distinct binding mode involving the central upper vestibule of th

154 three distinct synaptotagmin-1-SNARE complex binding modes involving 'polybasic', 'primary' and 'trip

155 e data support a model in which only one RNA-binding mode is critical for virion packaging and restri

156 The structure reveals that the chloride-binding mode is more similar to HRs than chloride-pumpin

157 The binding mode is similar for all guests with the ammonium

158 The observed binding mode is supported by and explains the structure-

159 city suggests that the most likely Grb2-SOS1 binding mode is through nSH3-PVPPPVPPRRRP and cSH3-PKLPP

160 complex, 3-Gd, generates a product with both binding modes: [K(2)(18-c-6)(3)]{[(R(2)N)(3)Gd](2)[mu-et

161 gnaling mechanisms are becoming clearer, the binding mode, kinetics, and selectivity of 19 mammalian

162 Depending on the binding mode, large species differences were found, e.g.

163 Only one binding mode leads to a covalent, but reversible, intera

164 The other binding mode leads to the cleavage of the peptide backbo

165 This binding mode limits the IGHV3-53 antibodies to short com

166 This binding mode may be important for specific cellular func

167 ntricate molecular mechanisms including dual-binding modes, mechanical allostery and catch bonds.

168 re recruited to the cellulosome via a single-binding mode mechanism with an adaptor scaffoldin.

169 lecules is a powerful approach to understand binding modes, mechanism of action, pharmacology, and ev

170 ed on the apex of the molecule; the receptor-binding mode might be different from that of retroviruse

171 namics simulations, our analyses suggest two binding modes: mobile molecules that can bypass barriers

172 elected compounds utilize new and unexpected binding modes; most notably, compounds substituted with

173 eptor subtypes, confirmed also by an unusual binding mode observed for the crystal structures in comp

174 The proposed H(3)R binding mode of 14d indicates key interactions similar t

175 ystal structure analysis revealed the unique binding mode of 15a with c-KIT and may elucidate its hig

176 ta may be explained by the possible bivalent binding mode of a single human-specific HA trimer to com

177 Based on the binding mode of adenosine 5'-(alpha,beta-methylene)dipho

178 ping and X-ray crystallography to reveal the binding mode of an antagonist series to the A(2A) adenos

179 ults have implications for understanding the binding mode of an immune receptor family that is emergi

180 e dynamic and static characterisation of the binding mode of aprepitant in complexes with human NK1R

181 azepinone derivatives, and thus a dualsteric binding mode of both 19 and 33.

182 role of the EF-hand domain in modulating the binding mode of CaM.

183 Elucidating the binding mode of carboxylate-containing ligands to gold n

184 olecular dynamics simulations show a similar binding mode of cholesterol and the azasterol probe to N

185 The covalent binding mode of compound 4 to PRMT6 was confirmed by mas

186 Furthermore, the binding mode of Cu-As by compound 5w was explored succes

187 d UV-visible spectroscopies, we explored the binding mode of cysteamine and RGS5 to human and mouse A

188 toward LOXL2 inhibition via an irreversible binding mode of inhibition.

189 Moreover; the complicated binding mode of metal-ligand complex has been explored b

190 g enabled us to deduce the putative collagen-binding mode of MMP-3, where all three collagen chains m

191 ptides, which revealed atomic details of the binding mode of mono- and bivalent 14-3-3 interactions.

192 ormation that differs significantly from the binding mode of other known FabI inhibitors.

193 X-ray crystallography depicted the binding mode of phosphonic acid 3 to both CAs II and VII

194 Our results provide new insights into the binding mode of prodrugs and will assist the rational de

195 The binding mode of protoberberine compounds to GfTNMT appea

196 hesis, structure-activity relationships, and binding mode of quinoline-3-carbohydrazide derivatives a

197 Here we describe the binding mode of Staphylococcus aureus RsfS to the large

198 The binding mode of Stx2a to P11 is also conserved among the

199 lix1 and loop1 (T201-L220) distinguishes the binding mode of substrate ssDNA from non-substrate.

200 ion allows for a detailed description of the binding mode of substrates and products, and their metal

201 resonance techniques are used to verify the binding mode of substrates and proposed intermediates in

202 r, no experimental data or models define the binding mode of TDZD-8 with GSK3beta, which chiefly refl

203 Here we present the binding mode of teixobactins in cellular membranes using

204 Binding mode of the active compounds in comparison with

205 of helix V and present data on the putative binding mode of the compound involving contacts to the t

206 uns were useful for establishing the correct binding mode of the compounds and thus precise alignment

207 A supposed dualsteric binding mode of the DIBA-peptide conjugates, such as 48,

208 his wide glycan binding spectrum in a unique binding mode of the GII.13/21 huNoVs appears not to incr

209 The conserved binding mode of the guests permits deciphering the effec

210 oretic analysis were utilized to clarify the binding mode of the molecule to DNA.

211 The binding mode of the most potent STAT3 inhibitor Erasin w

212 Therefore, LILRB1-binding RIFINs mimic the binding mode of the natural ligand of LILRB1 and suppres

213 o assess the potency and to characterize the binding mode of the newly identified lead compound.

214 In many cases the binding mode of the pyrazine fragment was complex, invol

215 izable scaffolds that can directly mimic the binding mode of the side chains of alpha-helical hot spo

216 Rgamma-TETRAC complex revealed a distinctive binding mode of the TH.

217 chemical, and functional analyses reveal the binding mode of three chemotherapeutic compounds, demons

218 The 3D structure reveals the binding mode of WIN 55,212-2 and structural determinants

219 is work reveals a novel dimerization and DNA-binding mode of WRKY TFs, and an intricate picture of th

220 and experimental analyses to investigate the binding modes of a group of chemicals representative of

221 In addition to establishing the different binding modes of aryl iodides, our results chart a path

222 over, it provides valuable insights into the binding modes of competitive CD73 inhibitors, representi

223 However, the ligand-binding modes of FPR2 remain elusive, thereby limiting t

224 eakthroughs in finding new binding sites and binding modes of GPCRs and their potentials for the deve

225 Although there are myriad binding modes of heterocumulenes to metal centers, the m

226 In this approach, we took advantage of the binding modes of hydrolyzed metabolites of several thali

227 ting SHP2, we identified multiple allosteric binding modes of inhibition and optimized numerous chemi

228 pecific, near-specific, and non-specific DNA binding modes of LacI in vivo, showing that all these mo

229 The different binding modes of proteins with CBB G-250 dye, primarily

230 These results describe clear binding modes of Ryd in the RyR cavity and offer structu

231 l modeling of these data to discern possible binding modes of several human P450s.

232 basis for their activity, we determined the binding modes of several trisubstituted imidazole inhibi

233 fibres is consistent with reported differing binding modes of the linker histone.

234 th the "dopamine-first" and the "HPAA-first" binding modes of the substrates reported in the literatu

235 explore similarities and differences in the binding modes of the wide variety of ligands (both subst

236 a geometry that approximates the alpha-N(2) binding mode on Fe(111) surfaces that precedes N(2) bond

237 tuning plays the role of optimizing the *CO binding mode on the surface of Ag nanoparticles incorpor

238 e the effect of two LH variants and variable binding modes on the structure of chromatin fibers.

239 free methods are required for predicting the binding modes or interfaces that have not been previousl

240 In contrast to a previous assumption on the binding mode, our results suggest that CR binding to the

241 By unveiling this high-affinity binding mode, our studies establish a high-resolution ch

242 siochemical properties predispose changes in binding mode, particularly those properties that define

243 The non-primed binding mode presented here paves the way for the develo

244 physical analysis characterize the different binding modes rationalizing the mechanism.

245 nteractions, while the relevant atomic-level binding modes remain elusive.

246 (SH2) domain of c-Src; however, the precise binding mode remains undefined.

247 from the periplasmic side of the membrane, a binding mode reminiscent of that observed for the nuclea

248 s APC/C-Cdc20 through two mutually exclusive binding modes, resulting in differential ubiquitination

249 The ligand-binding mode revealed here provides a new direction for

250 n of hyperfine couplings and strength of the binding mode(s) is described.

251 n spin properties of such different and rich binding mode scenarios, 1D/2D pulsed EPR experiments hav

252 Knowledge of these structural motifs and binding mode should facilitate the design of antigens th

253 ivity suggests that ZINC58368839 comprises a binding mode similar to AZ11645373 and other previously

254 esigned ankyrin repeat proteins that share a binding mode similar to that of CopN also impede nucleat

255 B tetramer can bind to ssDNA in two distinct binding modes: (SSB)30 and (SSB)60, defined by DNA bindi

256 - or 2 H-tetrazole substituents, their exact binding mode, structural biology, 3D conformations, and

257 fic gammadelta-TCRs using strikingly diverse binding modes, suggesting fundamental differences in gam

258 ional changes in Uba1 and Cdc34 and a unique binding mode that are required for transthiolation.

259 ion of the ERK2 F-recruitment site through a binding mode that deviates significantly from that of a

260 with weak severing activity adopts a unique binding mode that does not perturb actin structure.

261 3 modification favors formation of a cofilin-binding mode that is unable to sufficiently alter filame

262 und to the Na(V)1.4 IQ domain, which shows a binding mode that would clash with the EF-hand domain.

263 e inhibitors exerted selective, noncanonical binding modes that exclusively target large hydrophobic

264 adaptive manner, thereby enabling different binding modes that maintain the interaction through diso

265 In this binding mode, the phosphorylation site Ser366 in the STI

266 X-ray crystallographic study depicted their binding mode to both CA II and IX-mimic.

267 ET uses its dimeric structure and a bivalent binding mode to preferentially recognize and ubiquitinat

268 suggesting a mechanism that involves a weak-binding mode to search for access to the thin filament a

269 for access to the thin filament and a tight-binding mode to sensitize the thin filament to calcium,

270 is compound, revealing a distinct non-primed binding mode to the active site.

271 artificial proteins in connection with their binding mode to the longitudinal surface of alpha- or be

272 uctures of the Nck-SH3.1 domain revealed its binding mode to the PRS in CD3e.

273 ta suggest that SurA utilizes three distinct binding modes to interact with uOMPs and that more than

274 o weak - or are disfavored compared to other binding modes - to be observed in typical host-guest com

275 d the recognition of an alternative, rotated binding mode upon changing the ribose-pocket binding moi

276 cy in complex with CatD and determined their binding mode using quantum chemical calculations.

277 We elucidate its binding mode using two-dimensional solid-state (19)F NMR

278 operativity in each binding mode and between binding modes using (dT)(70) and (dT)(140).

279 Substrate binding modes vary widely, from simple 1:1 complexes to

280 The binding mode was confirmed by co-crystallization of the

281 s enantiomerically enriched pairs, and their binding mode was investigated by X-ray crystallography.

282 Only the high-affinity binding mode was observed in the complex with infectious

283 As bioactive molecules present a static binding mode, we devised dynamic undocking (DUck), a fas

284 Through the realization of different binding modes, we demonstrate sequence encoded nanoscale

285 To investigate these different FHA binding modes, we solved the crystal structures of the m

286 ze and nature of the 2-substituent, variable binding modes were observed by X-ray crystallography.

287 linker in M-MPEP and mavoglurant, reveals a binding mode where the ligand is rotated by 180 degrees

288 The results distinctively supported one binding mode, which was subsequently used to design new

289 These changes can be classified in terms of binding modes, which include disorder-to-order (DO) tran

290 nner with BET BRDs through canonical and new binding modes, while two classes of extra-terminal (ET)-

291 lly overlap, whereas CHU-128 adopts a unique binding mode with a more open receptor conformation at t

292 In contrast, despite sharing the same binding mode with leupaxin, paxillin recruitment into po

293 The compounds have a novel ATAD2 binding mode with noncanonical features including the di

294 ese complexes show a threading intercalation binding mode with slow and chirality-dependent rates.

295 acial triad, instead of assuming the offline-binding mode with the C1 carboxylate group trans to the

296 on its own, the R-SNARE enters an anomalous binding mode with the channels, possibly as a fail-safe

297 evealing that proteins may exhibit different binding modes with different partners.

298 The complex assembles in two discrete binding modes with significantly different mechanical pr

299 Stx2a formed a distinct P11-binding mode within a different surface pocket relative

300 virus (SIV) and HIV have clarified the INSTI binding modes within the intasome active sites and helpe