ライフサイエンスコーパス: ligand-binding site

1 in basic residues located only 12 A from the ligand binding site.

2 ntegrins contain an I-domain that is a major ligand binding site.

3 introduce a cysteine in the vicinity of the ligand binding site.

4 ent knowledge of the sigma1 receptor and its ligand binding site.

5 ty of the triazole product for the nicotinic ligand binding site.

6 igand complexes also supports the identified ligand binding site.

7 tant molecules and the fully formed phenolic-ligand binding site.

8 the largely disordered CT domain and the PDZ ligand binding site.

9 ly reported pharmacophore model for the FPR2 ligand binding site.

10 ch are consistent with a self-association or ligand binding site.

11 directly affects the avidity of the KIR3DL1 ligand binding site.

12 suggesting that lysine 155 is in or near the ligand binding site.

13 rearrangements in the switch3 region at the ligand binding site.

14 d surface areas of atom types in the protein-ligand binding site.

15 as MRS2500 blocks signaling by occupying the ligand binding site.

16 y structure, the tertiary structure, and the ligand-binding site.

17 ositioning and increased mobility within its ligand-binding site.

18 ermediate mutations located distant from the ligand-binding site.

19 tering interhexamer interfaces remote to the ligand-binding site.

20 characterized compounds that act at the PAR1 ligand-binding site.

21 or MN19 decreasing in both stem 1 and at the ligand-binding site.

22 tide to its target Na channels at a distinct ligand-binding site.

23 rance of HirCel7A may serve as an additional ligand-binding site.

24 ately 15 A from the classical, 'orthosteric' ligand-binding site.

25 mice or mice expressing sVEGFR-3 lacking the ligand-binding site.

26 at span a region immediately adjacent to the ligand-binding site.

27 ct binding mode in the orthosteric PPARgamma ligand-binding site.

28 peared to open and shape the entrance of the ligand-binding site.

29 olecules, shows no occupancy of its putative ligand-binding site.

30 e (Gln128) in modulating the geometry of the ligand-binding site.

31 ons, and as a result, induces changes in the ligand-binding site.

32 ith predicted variable residues exposed in a ligand-binding site.

33 y of approximately 3000 A(3) that could be a ligand-binding site.

34 s pocket is likely to represent a regulatory ligand-binding site.

35 17, 19, 21, and 23) that shares a conserved ligand-binding site.

36 different subunits in the homotrimer, on the ligand-binding site.

37 vity is mediated by a flexible loop near the ligand-binding site.

38 nducing a conformational change in the Nur77 ligand-binding site.

39 CD and a conserved, membrane-distal putative ligand-binding site.

40 al PASTA domain that has the properties of a ligand-binding site.

41 o integrin alphavbeta3 outside the classical ligand-binding site.

42 each other, or in pockets such as protein or ligand binding sites.

43 and (ii) prediction of sequence tolerance in ligand binding sites.

44 tion, the new structures have revealed novel ligand binding sites.

45 ertase have been identified in Factor B (FB) ligand binding sites.

46 g studies allowed identification of possible ligand binding sites.

47 , from Erwinia chrysanthemi and analyzes the ligand binding sites.

48 alk separation and exposure of extracellular ligand binding sites.

49 that can form tertiary contacts or serve as ligand binding sites.

50 each subunit presents multiple, interacting ligand binding sites.

51 to coordinate allosteric coupling of the two ligand-binding sites.

52 ragment subpockets and compare them to whole ligand-binding sites.

53 of the heteromeric receptors contained beta4 ligand-binding sites.

54 ations expected to inhibit nAChRs with beta2 ligand-binding sites.

55 nable allosteric signal transmission between ligand-binding sites.

56 employing in silico modeling of various FGFR ligand-binding sites.

57 ndSite is a web server for the prediction of ligand-binding sites.

58 These calculations identified two potential ligand-binding sites.

59 d (iv) in sequence motifs that are potential ligand-binding sites.

60 , and co-existent, exo- and endofacial GLUT1 ligand-binding sites.

61 protein domain that can accommodate multiple ligand-binding sites.

62 upon purification, and possess deeply buried ligand-binding sites.

63 g two benchmark databases and two particular ligand-binding sites.

64 IL-11Ralpha are generally distal to putative ligand-binding sites.

65 uctural features: 1) the lack of an internal ligand binding site; 2) a striking groove in the surface

66 me progress has been made with regard to the ligand-binding sites, a consistent picture of transport

67 logical inhomogeneity, and multiple possible ligand binding sites all conspire to limit characterizat

68 Mutations around the ligand binding site allowed salivary gland invasion but

69 The presence of a ligand-binding site allowed the effect of redox modulati

70 on of individual orthosteric contacts in the ligand binding sites, allowing us to rank the energetic

71 ethod is based on experimental evidence that ligand binding sites also bind small organic molecules o

72 es of the secondary sites with known primary ligand binding sites also shows broad similarities indic

73 findings provide a structural basis for how ligand binding site alterations can allosterically affec

74 ein originating in the peripheral C-terminal ligand binding site and culminating in pore opening.

75 e that includes breathing of the orthosteric ligand binding site and shear motion of the transmembran

76 ple interactions, ligands stabilize both the ligand binding site and the local secondary structure.

77 etection methods to build 3D models, predict ligand binding sites and analyze the effect of amino aci

78 llowed us to create pharmacophore models for ligand binding sites and formulate requirements for thes

79 heories for the predictions of metal ion and ligand binding sites and metal ion-dependent RNA stabili

80 ed at protein-protein interfaces and protein-ligand binding sites and uses these characteristics to m

81 320 lies in an extended loop proximal to the ligand-binding site and bounded at both ends by conserve

82 ir conformational flexibility, together with ligand-binding site and interaction mechanisms.

83 These motifs define the ligand-binding site and make up the most structurally di

84 e via an allosteric network encompassing the ligand-binding site and the G protein-binding site.

85 tension resulting in increased access to the ligand-binding site and/or facilitating the conformation

86 : an efficient software tool for identifying ligand-binding sites and predicting pseudo ligand corres

87 ter-aided drug design, we explored potential ligand-binding sites and screened for compounds that cou

88 on is mediated extracellularly by unoccupied ligand-binding sites and that oligomerization organizes

89 ide characterization and analysis of protein ligand-binding sites and their interactions with ligands

90 omolecular target, from both an orthosteric (ligand-binding sites) and allosteric (location of CORE d

91 nto groups based on the conformations of the ligand binding site, and distinct conformers from each g

92 ent of beta(2)AR, which establishes multiple ligand binding sites, and its properties were not signif

93 the effects of SNVs on enzyme active sites, ligand binding sites, and various types of post translat

94 et-blocking antibody which binds outside the ligand-binding site, and determined the crystal structur

95 he STAT3 coiled-coil domain (CCD) as a novel ligand-binding site, and we describe a new naphthalene s

96 summarize our current view of the structure, ligand-binding sites, and chloride channel of these rece

97 bles are titration of intracellular ions and ligands, binding sites, and efflux pathways such as thos

98 targeting PAR1 with an orthosteric-tethered ligand binding-site antagonist results in bleeding, poss

99 nd GLs and that proteins possessing multiple ligand binding sites are able to interact with GLs origi

100 These channels are heteropentamers and their ligand binding sites are localized at the beta+ / alpha-

101 indicate that multiple, distinct, functional ligand binding sites are present on SIRPalpha that may a

102 monovalently in solution, we show that both ligand binding sites are required to efficiently recruit

103 alpha4beta1 and alpha4beta7 shows that their ligand-binding sites are highly conserved.

104 mber of ligands, but in the closed state the ligand-binding sites are inaccessible.

105 Our results suggest that the two ligand-binding sites are potentially controlled by each

106 ce, such as pockets that often correspond to ligand binding sites as well as protrusions and flat reg

107 ts identified by various approaches, such as ligand-binding sites as observed in experimental complex

108 to concurrently detect and localize multiple ligand-binding sites at single receptor resolution.

109 We find that the base pairs close to the ligand-binding site become stronger upon ligand binding,

110 Also, the orthosteric ligand-binding site becomes the initiator region for all

111 loop II protrudes to the M1-mAChR allosteric ligand-binding site blocking the entrance to the orthost

112 toplasmic face of PAR1 without modifying the ligand-binding site, blocking signaling through Galphaq

113 n includes a cupin-like beta-barrel with the ligand-binding site buried at its centre.

114 und in both forms, not in the canonical TetR ligand binding site but rather in a second pocket more d

115 rgo a conformational change that exposes its ligand-binding site, but it is poised to rapidly assembl

116 eta(2)AR structures and demonstrate that the ligand binding site can accommodate compounds of differe

117 Our results show that ligand binding sites can usefully be thought of in terms

118 to describe how structural changes from the ligand-binding site can be transmitted to the central io

119 ems pharmacology platform 3D-REMAP that uses ligand binding site comparison and protein-ligand dockin

120 ology pipeline which combines proteome-scale ligand binding site comparison, protein-ligand docking,

121 hrough parallel computations designed for 3D ligand-binding site comparison and similarity searching

122 The ligand binding site comprises the beta-sheet that forms

123 site containing D142, and a flexible proton/ligand binding site containing D235 and E327, the contri

124 nchmark tests on portfolios of up to 219 931 ligand binding sites containing the 200 most popular lig

125 dicated that desolvation effects in the PBP3 ligand-binding sites contributed significantly to the th

126 ignment of the two modules revealed that the ligand-binding sites could be superimposed and that amin

127 B receptors is limited, with only one other ligand-binding site defined--for the corticotropin-relea

128 Our generalizable de novo ligand binding site design method provides a foundation

129 The residue composition of a ligand binding site determines the interactions availabl

130 suggest that the level of saturation of the ligand binding sites determines the nature of the P2X7R

131 The location and shape of the ligand-binding sites differ from other G protein-coupled

132 In contrast, NTs that have extracellular ligand-binding sites do not have a similar tendency to a

133 e predictions, and functional annotations on ligand-binding sites, Enzyme Commission numbers and Gene

134 Detecting protein-ligand-binding sites experimentally is time-consuming an

135 The ability to concurrently search protein-ligand binding sites extracted from the Protein Data Ban

136 perpendicularly to the NBDs and its putative ligand-binding sites face the transporter to likely modu

137 The structure reveals a ligand-binding site for 24(S),25-epoxycholesterol in the

138 e conclude that MHR1/2 acts as a orthostatic ligand-binding site for TRPM2.

139 The method is applicable to any purified ligand-binding site for which an appropriate fluorescent

140 l complex, the N-lobe of calmodulin provides ligand-binding sites for channel gating, and that its li

141 The identification of ligand-binding sites from a protein structure facilitate

142 ased algorithm COACH is developed to predict ligand-binding sites from protein sequence or using 3D s

143 cluding gene ontology, enzyme commission and ligand-binding sites from various analogous and homologo

144 ers, namely FTSite, which is used to predict ligand-binding sites, FTFlex, which is used to account f

145 Studies involving a ligand-binding site G131T mutant show that the mutant fo

146 Periplasmic binding protein ligand-binding sites have diversified to bind a wide var

147 orrect ligand: in the context of the overall ligand-binding site, His210 validates the C3 modificatio

148 issociation constant for binding of PQS to a ligand binding site in (PqsRLBD)2 dimers was determined

149 teraction of the alpha(M)I-domain, the major ligand binding site in the beta(2) integrins, with Plg.

150 inding energetics shows that the location of ligand binding sites in Abeta dimer is dictated by the A

151 that LASER can be used to rapidly survey for ligand binding sites in an unbiased fashion. LASER has a

152 ification of tertiary structure elements and ligand binding sites in complex RNAs and in diverse biol

153 cs of proline-rich or phosphorylated peptide ligand binding sites in distal c-Src SH3 and SH2 domains

154 roversy regarding the number and function of ligand binding sites in neurotransmitter/sodium symporte

155 logically correct alignments using predicted ligand binding sites in protein models opens up the poss

156 ing sequence order-independent alignments of ligand binding sites in protein models.

157 Detecting similarities between ligand binding sites in the absence of global homology b

158 rmational changes in the fusion process, and ligand binding sites in their vicinity are anticipated t

159 onstrate a role for GlcNAc in modulating the ligand-binding site in hN1 EGF12, resulting in an increa

160 a unique conformation at the backside of the ligand-binding site in proximity to the region at which

161 latory potency is enhanced by unmasking of a ligand-binding site in the C-terminal CCPs 19-20 that is

162 Moreover, we identified a ligand-binding site in the dimer interface, suggesting t

163 alpha/beta subunit interface and not at the ligand-binding site in the inserted ("I") domain of the

164 conservation extending from the orthosteric ligand-binding site in the transmembrane core to the cyt

165 lts to describe the proposed intravestibular ligand-binding site in TRPA1 in detail.

166 Allosteric communication between two ligand-binding sites in a protein is a central aspect of

167 involved in allosteric coupling between two ligand-binding sites in a protein, which we call chemica

168 improving prediction or characterization of ligand-binding sites in proteins of unknown function.

169 Computational characterization of ligand-binding sites in proteins provides preliminary in

170 Fast and accurate classification of ligand-binding sites in proteins with respect to the cla

171 Structural studies of the beta1AR define ligand-binding sites in the transmembrane helices and ef

172 ls common structural rearrangements near the ligand binding site induced by the bound (S)-enantiomers

173 neered form of sTie2, which presents dimeric ligand binding sites, inhibits Angpt1 signalling at seve

174 nt effects were investigated to maximize the ligand-binding site interactions in the protease active

175 fers the possibility of favorably modulating ligand-binding site interactions, physicochemical proper

176 vealed important molecular insights into the ligand-binding site interactions, which may account for

177 evealed important molecular insight into the ligand-binding site interactions.

178 rovide intriguing molecular insight into the ligand-binding site interactions.

179 rovided critical molecular insights into the ligand-binding site interactions.

180 CD is similar to other Class B GPCRs and the ligand binding site is similar to the binding site of th

181 tramolecular communication between the three ligand binding sites is conserved in the Kinesin-5 famil

182 Identification of protein-ligand binding sites is critical to protein function ann

183 Locating a ligand-binding site is an important first step in struct

184 ed primary cyclic AMP-binding site, a second ligand-binding site is nestled between the N-terminal do

185 subunits to complementary components of the ligand-binding site is nonequivalent.

186 ostery in proteins in which evolution of the ligand-binding site is occurring.

187 The discovery of protein-ligand-binding sites is a major step for elucidating pro

188 Each of these ligand-binding sites is bonded to a different solvent-ex

189 Comprehensive characterization of ligand-binding sites is invaluable to infer molecular fu

190 lemented with a P(proxy) containing a single ligand binding site, is given.

191 and-binding domain (LBD), which contains the ligand-binding site, is coupled to the transmembrane dom

192 d to react with noncatalytic cysteines, many ligand binding sites lack an accessible cysteine.

193 for PAR4 activation and the location of its ligand binding site (LBS) are unknown.

194 Mutations at the ligand binding sites (LBSs) can influence protein struct

195 Atomic mutation of the RNA at the ligand binding site leads to loss of binding shown by is

196 Ligand binding site mapping experiments showed that DV1

197 We tested whether the two ligand binding sites might overlap by examining whether

198 on posttranslational modifications of their ligand binding sites, Notch proteins have linked their f

199 l relevance of the dimer-specific peripheral ligand-binding site observed in certain CYP3A4 structure

200 The planar ligand binding site, observed in a parallel orientation

201 The ligand binding site of CD163 has previously been shown t

202 The ligand binding site of Cys-loop receptors is formed by r

203 Molecular docking studies suggested that the ligand binding site of PEDF-R interacts with the neurotr

204 ptor signaling by binding to the orthosteric ligand binding site of the AT1 receptor and promoting co

205 13-carotenone can interact directly with the ligand binding site of the retinoid receptors.

206 ntial allosteric paths between catalytic and ligand binding sites of hPDI.

207 n and allosteric interactions between remote ligand binding sites of the protein.

208 cts with a conserved tyrosine residue in the ligand-binding site of a subset of iLBPs.

209 elative positions of various residues in the ligand-binding site of any ligand-receptor complex, and

210 The extracellular ligand-binding site of DRD2 is remodelled in response to

211 ther than the conserved aspartic acid at the ligand-binding site of M(1) and M(2) receptors.

212 ion whereby a sequence motif within the PxxP ligand-binding site of the p115 RhoGAP SH3 domain occupi

213 The two most common are binding to the ligand-binding site of the receptor and, conversely, bin

214 ithin the area that corresponds to the rigid ligand-binding site of these bona fide folate receptors.

215 Herein, we compare in silico the ligand-binding sites of 28 human "side-effect" targets t

216 The ligand-binding sites of many G protein-coupled receptors

217 e postsynaptic membrane surface whenever the ligand-binding sites of their synaptic receptors are bur

218 odulating polycyclic aromatic small molecule ligand binding sites on Abeta monomer using immunostaini

219 Ligand binding sites on acetylcholinesterase (AChE) comp

220 elation studies on T1R2/T1R3 showed multiple ligand binding sites on both subunits.

221 e provide evidence for separate and specific ligand binding sites on CXCR4.

222 tion networks, as well as in detecting small ligand binding sites on protein structures.

223 The success rate for locating protein-ligand binding sites on protein surfaces using this new

224 Identifying ligand binding sites on proteins is a critical step in t

225 Both LD motifs can target two ligand binding sites on Pyk2-FAT.

226 termed pMD-membrane, to identify allosteric ligand binding sites on the G12D and G13D oncogenic muta

227 Furthermore, we review eight characterized ligand binding sites on the Na(v) channel alpha subunit.

228 r interaction using antibody targeted to the ligand-binding site on IP3R, blocked plasma membrane acc

229 work is to identify a biologically relevant ligand-binding site on PEDF-R.

230 e binding sites for these effectors, and the ligand-binding sites on different subunits could influen

231 binding to LenA, which suggests overlapping ligand-binding sites on the bacterial receptor.

232 provided additional clues to localization of ligand-binding sites on the protein surface.

233 moothened, a GPCR that contains two distinct ligand-binding sites: one in its TMD and one in the CRD.

234 regulated in this way often contain multiple ligand binding sites or modification sites, which can op

235 on a non-redundant set of about 20,000 known ligand-binding sites, or pockets, of proteins.

236 luding a potential alternative QS-modulatory ligand binding site/partner) that provide new, and unexp

237 for domain prediction; and FunFOLD 1.0, for ligand binding site prediction.

238 Protein ligand-binding site prediction is highly important for p

239 Most ligand-binding sites prediction methods use the protein

240 s could greatly assist the classification of ligand-binding sites, prediction of protein molecular fu

241 OR was ranked as the best method for protein-ligand binding site predictions.

242 ust method for future evaluations of protein-ligand binding site predictions.

243 has become extremely popular for identifying ligand-binding sites, protein-protein interactions, intr

244 The structures reveal two distinct ligand-binding sites, providing atomic details of P2Y1R'

245 derived material that is predicted to affect ligand binding sites proximal to glycans.

246 rangement of three different residues in the ligand-binding site: R92 (loop D), N128 (loop A), and E2

247 ed on the preferences of amino acids for the ligand-binding site (RA) and proposed the propensity for

248 demonstrate a new robust approach to protein-ligand binding site recognition, which is ready for geno

249 he consistent structural alignment of 57 PDE ligand binding site residues enables the systematic anal

250 contains a consistent alignment of 85 kinase ligand binding site residues that enables the identifica

251 hat, despite conservation of the orthosteric ligand-binding site residues, there are notable conforma

252 sidue centric and scalable method to predict ligand-binding site residues.

253 In addition, Mg(2+) ligand binding site(s) indicated by the structural analy

254 ation by WFA via targeting the conserved WFA-ligand binding site shared among type III IFs promotes f

255 Our resource of domain-inferred ligand-binding sites should be a great aid in understand

256 at supports local sequence order independent ligand-binding-site similarity searching.

257 larity can be established by detecting their ligand-binding-site similarity.

258 e docking of 7alpha,25-OHC into the putative ligand binding site, so that the hydroxyl groups interac

259 ng mouse strain or alternatively used a CD28 ligand-binding site-specific mouse anti-mouse mAb blocki

260 Ligand binding site structure has profound consequences

261 tes enforce specificity independently of the ligand-binding site, such that either one may be rationa

262 tor mutations located near and away from the ligand-binding site suffices to switch the binding speci

263 te are clustered in a region adjacent to the ligand-binding site, suggesting that this region acts as

264 The discrete modification of a small set of ligand binding sites suggests Au(102)(p-MBA)(44) as a po

265 explanation of how cAMP gains access to the ligand binding sites that, in the crystal structure, are

266 etwork of conserved water molecules near the ligand-binding site that are important for activation by

267 n-haemoglobin (HpHb), revealing an elongated ligand-binding site that extends along its membrane dist

268 drugs targeting the endogenous (orthosteric) ligand-binding site that include the ability to sculpt c

269 It features an atypical ligand-binding site that precludes canonical ligand bind

270 g from other family members in the number of ligand binding sites, the diversity of bound ligands, an

271 s information on the chemical structure, the ligand-binding site, the direction of modulation, the po

272 The PDK1 kinase domain has at least three ligand-binding sites: the ATP-binding pocket, the peptid

273 We propose that SAM enters the ligand-binding site through the "J1/2-J3/4" gate and "lo

274 alpha/beta subunit interface overlapping the ligand-binding site thus indicating that the compound mu

275 ts structural information from a boron-based ligand binding site to a spectroscopic reporter located

276 .38)A that propagated from the extracellular ligand binding site to the intracellular surface, result

277 r long distances in integrins, 40 A from the ligand binding site to the opposite end of the betaI dom

278 TLR8 engages two distinct ligand binding sites to sense RNA degradation products,

279 ropagation of conformational change from the ligand-binding site to a distal functional site.

280 ransmission of conformational changes at the ligand-binding site to the remote helix-loop-helix exten

281 first transforms the molecular structures of ligand-binding sites to 2D Voronoi diagrams, which are t

282 The substitution pattern of the three ligand binding sites, together with the kinetic stabilit

283 structural homologs, mapping of cavities and ligand binding sites, transmembrane regions and protein

284 ve discovered that binding of choline at the ligand-binding site triggers conformational changes in t

285 We also discover a distant (25 angstrom) ligand-binding site unique to SARS-CoV-2, which can alte

286 The identified ligand binding sites were also confirmed by a separate f

287 previously labeled by the distances between ligand binding sites, were isolated independently by con

288 ransmembrane domain of SMO harbours multiple ligand binding sites, where SANT1 binds at a deeper site

289 342A may form a distant part of the putative ligand-binding site, whereas F358A is likely to be in a

290 mber of basic amino acids that form a common ligand binding site, which indicated that these interact

291 form for most proteins containing a specific ligand binding site, which would be useful as a simple a

292 natural carrier protein possessing multiple ligand binding sites with a plasma half-life ~19days, fa

293 ble crosslinker that marks contacts close to ligand binding sites with high specificity.

294 We show that AutoSite identifies ligand-binding sites with higher accuracy than other lea

295 These studies identify three separable ligand binding sites within GPR84 and suggest that if me

296 of multiple opposing endpoints, and multiple ligand binding sites within nuclear receptors also contr

297 Ligand binding sites within proteins can interact by all

298 in functionality as well as aid in detecting ligand-binding sites within structurally uncharacterized

299 Potential ligand-binding sites within the epidermal growth factor

300 ng input of thermal energy into the flexible ligand binding sites, without local heating of the rigid