ライフサイエンスコーパス: ligand-binding pocket

1 used only at selected buried residues of the ligand binding pocket.

2 does not depend on the affinity state of the ligand binding pocket.

3 suggesting that this region may be part of a ligand binding pocket.

4 vated GPCRs and forms a critical part of the ligand binding pocket.

5 y different positioning and structure of the ligand binding pocket.

6 obic interactions or both to form a U-shaped ligand binding pocket.

7 his position that are accommodated by the PR ligand binding pocket.

8 it atop four amino acids that shield the CAR ligand binding pocket.

9 large dimerization interface and a small CAR ligand binding pocket.

10 ured that their interaction was not with the ligand binding pocket.

11 ght about by alterations of the shape of the ligand binding pocket.

12 pharmacophore binding site in the beta(2)AR ligand binding pocket.

13 oglobin, suggesting an unhindered and apolar ligand binding pocket.

14 astrin receptor (CCK-BR) comprise a putative ligand binding pocket.

15 omologous overall and 88% homologous for the ligand binding pocket.

16 rbonyls of two phenylalanine residues in the ligand binding pocket.

17 olded conformation of these compounds in the ligand binding pocket.

18 he binding conformation of Compound-1 in the ligand binding pocket.

19 ce and reposition a conserved element of the ligand binding pocket.

20 o hydrophobic residues that form the peptide ligand binding pocket.

21 ct of a combination of a few residues in the ligand binding pocket.

22 gand and a conserved aromatic residue in the ligand-binding pocket.

23 ional coupling of this surface to the native ligand-binding pocket.

24 and which can be used to predict the likely ligand-binding pocket.

25 tion of the bound phosphate group within the ligand-binding pocket.

26 and AIIB2, it appeared to lie closer to the ligand-binding pocket.

27 occupying different regions of the receptor ligand-binding pocket.

28 ent with PA-PhoQ binding metal in a specific ligand-binding pocket.

29 signaling from occupation of the orthosteric ligand-binding pocket.

30 the sGC heme has a large hydrophobic distal ligand-binding pocket.

31 ies produced by protein residues forming the ligand-binding pocket.

32 ands induce in the immediate vicinity of the ligand-binding pocket.

33 litazone showed that binding occurred in the ligand-binding pocket.

34 ytic cysteine is no longer positioned in the ligand-binding pocket.

35 tes in both subunits, which may constitute a ligand-binding pocket.

36 h located on helix 11 that forms part of the ligand-binding pocket.

37 e different points of interaction within the ligand-binding pocket.

38 with L37 and no longer blocks entry into the ligand-binding pocket.

39 eceptor will require a reliable model of the ligand-binding pocket.

40 rounding amino acid residues in the receptor ligand-binding pocket.

41 analysis of the SBA compounds into the LPA2 ligand-binding pocket.

42 ants displayed disruptions in and around the ligand-binding pocket.

43 2D were mapped to a single loop in the NKG2D ligand-binding pocket.

44 the adhesins clustered around the predicted ligand-binding pocket.

45 of 23 ordered lipids intercalates inside the ligand-binding pocket.

46 ic ligands indicate distinct features of the ligand binding pockets.

47 how that alphaIIbbeta3 contains two distinct ligand binding pockets.

48 s, discovering each to contain four putative ligand-binding pockets.

49 sitions, and shows the crowded nature of the ligand-binding pockets.

50 all distant from the interfaces and outside ligand-binding pockets.

51 erfaces is a major route to the formation of ligand-binding pockets.

52 is revealed 10 binding "hot spots", 4 in the ligand-binding pocket, 2 in the coactivator-binding regi

53 erved glutamine residue 159 in the predicted ligand-binding pocket abrogates the binding of the SabA

54 domains predicts that these cysteines form a ligand-binding pocket, allowing for the possibility of d

55 DHR38 reveals the absence of both a classic ligand binding pocket and coactivator binding site, feat

56 ent ERalpha antagonists bind in the receptor ligand binding pocket and compete for binding with estro

57 ticlopride reveals important features of the ligand binding pocket and extracellular loops.

58 ion experiments to map the BRPF1 bromodomain ligand binding pocket and identified key residues respon

59 llosteric network that traverses the protein ligand binding pocket and links these two elements to di

60 h 5' substituents should fit poorly into the ligand binding pocket and perhaps behave as antagonists.

61 ly E75 nuclear receptor contains heme in its ligand binding pocket and that the oxidation state of th

62 ve antagonists bind directly to the integrin ligand binding pocket and thus disrupt the ligand-recept

63 required mutations were located outside the ligand binding pocket and yet exerted important action o

64 l mutations, four of them were not in the ER ligand binding pocket and yet exerted important action o

65 allosteric network that connects the buried ligand-binding pocket and a solvent-exposed coregulator

66 cluding a 53% reduction in the volume of the ligand-binding pocket and an increase in the surface are

67 urred through sequence variation both at the ligand-binding pocket and at loops near the dimerization

68 ture (Protein Data Bank ID code 4GRV) in the ligand-binding pocket and by the presence of the amphipa

69 le, unique orientation within the receptor's ligand-binding pocket and contacts the AF-2 helix.

70 ct to the wild-type protein, it had a larger ligand-binding pocket and displayed movement of a loop (

71 Thus 9cRA binding stabilized the ligand-binding pocket and had allosteric effects on the

72 This loop defines the entrance of the ligand-binding pocket and is stabilized by two disulphid

73 hrine), causes conformational changes to the ligand-binding pocket and neighboring helices.

74 dies confirmed COH29 binding to the proposed ligand-binding pocket and offered evidence for assembly

75 unveil a compact PAS domain with a potential ligand-binding pocket and reinforce the view that the PA

76 his conformation, wherein W72 flips into the ligand-binding pocket and renders the protein incapable

77 is strictly dependent on an intact receptor ligand-binding pocket and that FES binds to ERalpha with

78 and hydrogen-bonding network of water in the ligand-binding pocket and the contribution of protein re

79 ally, an extensive polar network between the ligand-binding pocket and the cytoplasmic domains appear

80 s A G-protein-coupled receptors with a large ligand-binding pocket and the first transmembrane helix

81 on function-2 (AF-2), that forms part of the ligand-binding pocket and undergoes a conformational cha

82 major rearrangement of the C-loop within the ligand binding pocket, and perhaps other regions includi

83 major rearrangement of the C-loop within the ligand binding pocket, and the disruption of a salt brid

84 cavity adjacent to the previously identified ligand binding pocket, and the F107W mutation results in

85 s other than those in the headpiece near the ligand-binding pocket, and the alpha- and beta-subunits

86 One LCA binds to the canonical ligand-binding pocket, and the second one, which is not

87 The ligand binding pockets are allosterically tuned by monop

88 More importantly, however, the two ligand binding pockets are interactive.

89 Five mutations in the ligand-binding pocket are sufficient to increase the aff

90 of protein-ligand interaction sites, namely ligand-binding pockets, around protein-protein interface

91 Residues within the ligand binding pocket as well as distal secondary struct

92 g similarities between PILRalpha and SIGLEC1 ligand binding pockets as well as at least one set of di

93 f base linkages and likely within the native ligand binding pocket at lysine-296.

94 ydrolyzing enzymes typically harbor a buried ligand-binding pocket at interdomain or intersubunit cle

95 engagement by quercetin of an unanticipated ligand-binding pocket at the dimer interface of IRE1's k

96 the extended conformation, the high affinity ligand binding pocket between domains I and III is disru

97 al solvent molecules exist within the A-site ligand binding pocket; both mediate water-bridged intera

98 Androstenol binds within the ligand binding pocket, but unlike many nuclear receptor

99 Y188(5.44) (TMV) was observed away from the ligand-binding pocket, but still necessary for hIP activ

100 nergic receptors that share almost identical ligand-binding pockets, but show notable amino acid sequ

101 allography revealed that GW0072 occupied the ligand-binding pocket by using different epitopes than t

102 strate the relative ease with which the PYR1 ligand-binding pocket can be altered to accommodate new

103 nity, and selectivity, and suggests that the ligand-binding pocket can be thought of as having three

104 e data establish a paradigm in which the USP ligand-binding pocket can productively bind ligand with

105 eptors indicates that the contraction of the ligand-binding pocket caused by the inward motion of hel

106 The ligand-binding pocket comprises 15 side chains from amin

107 a wild type neuronal nAChR ECD and the full ligand binding pocket conferred by two adjacent alpha su

108 dentical interactions of T and DHT in the AR ligand binding pocket correlate with similar rates of di

109 One at the ligand-binding pocket determines the relative affinities

110 monstrate that these ligands fit into the ER ligand binding pocket differently and that each contacts

111 However, the structure of the ligand-binding pocket does undergo subtle but significan

112 TPBM acts outside of the ER ligand binding pocket, does not act by chelating the zin

113 gle conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(3

114 rd helix, P4, projects orthogonally from the ligand-binding pocket, exposing its stem-loop to base pa

115 The apo receptors contain an open ligand-binding pocket flanked by a gate that closes in r

116 Here, we have extended the database of ligand binding pockets for Patch-Surfer to cover diverse

117 The position of the native ligand-binding pocket for prostacyclin as well as other

118 e RGD family supports the notion of a common ligand binding pocket formed by both integrin chains.

119 din EP3 receptor binds Prostaglandin E2 in a ligand binding pocket formed in part by seven transmembr

120 Leu236 and the H and I beta-strands into the ligand binding pocket formerly occupied by CO.

121 We found that the ligand-binding pockets had much higher conservation than

122 l activity by targeting sites outside of the ligand-binding pocket has implications for the developme

123 specific segment(s) that define the receptor ligand-binding pocket have produced less than definitive

124 ncluded those located in the vicinity of the ligand-binding pocket (helices H3, H5, and strands S1, S

125 a rearrangement of a novel region of the VDR ligand binding pocket, helix H6.

126 lmS ribozyme with a mutation distal from the ligand-binding pocket highlights a nucleotide critical t

127 receptor activation within the region of the ligand-binding pocket, identifying transmembrane residue

128 To identify the ligand binding pocket in the receptor for complement fac

129 A comparative analysis of ligand binding pockets in chemokine receptors is present

130 e ligand entrance so that the opening of the ligand-binding pocket in apo-R111M is much smaller than

131 ubtle backbone conformational changes in the ligand-binding pocket in determining the magnitude of ag

132 The hydrophobic ligand-binding pocket in mK2Pg, consisting primarily of

133 h a residue near the entrance of a potential ligand-binding pocket in TFL1, but not in FT.

134 N termini of the dimer, and a large flexible ligand-binding pocket in the C-terminal domain.

135 the potential produced by the protein in the ligand-binding pocket in the closed state is complementa

136 provided information on the structure of the ligand-binding pocket in the transition state.

137 d visualization via cocrystallography of two ligand-binding pockets in human SOD1 and its pathogenic

138 results suggest that Hsp90 stabilizes the GR ligand-binding pocket indirectly by utilizing the allost

139 lpha and beta subunits and indicate that the ligand binding pocket is a structure assembled from elem

140 nd how ligand access to and release from the ligand binding pocket is affected by the conformational

141 entification of these key amino acids in the ligand binding pocket is confirmed by the reported cryst

142 scontinuous and that the presentation of the ligand binding pocket is dependent on alpha helices with

143 d receptor coactivator 1 reveals that the GR ligand binding pocket is expanded to a size of 1,070 A(3

144 The ligand binding pocket is situated between these two sand

145 ular dynamics simulations illustrate how the ligand-binding pocket is conformationally linked to this

146 The lipophilic liver X receptor ligand-binding pocket is larger than the corresponding s

147 or extending the hybrid domain, and that the ligand-binding pocket is not occluded by the membrane in

148 association of the antagonist with the core ligand-binding pocket is sufficient to induce an antagon

149 The ligand-binding pocket is surrounded with mostly hydropho

150 The ligand-binding pocket is unusual compared to those of ot

151 in monoclonal antibodies (mAbs) lie near the ligand-binding pocket, it follows that the epitopes of t

152 Since Nurr1 lacks a classical ligand-binding pocket, it is not clear which factors reg

153 LBD) reveals that luteolin occupies a buried ligand-binding pocket (LBP) but binds an inactive PPARga

154 terone (DHT) and testosterone (tes), for the ligand-binding pocket (LBP) in the ligand-binding domain

155 e parasite ACBP is shown to have a different ligand-binding pocket, leading to an acyl-CoA binding sp

156 s indicate, as for MTH313, the presence of a ligand binding pocket located between the dimerization a

157 six-bladed beta-propeller fold with a single ligand binding pocket located in the central part of the

158 ligands and specific regions of the receptor ligand-binding pocket might selectively trigger a subset

159 Alterations include four ligand binding pocket mutations defining sites of inhibi

160 ng protein family that possesses a conserved ligand-binding pocket, negatively regulates the mammalia

161 cl2 structures reveals extensions of a known ligand-binding pocket not apparent in the apo crystal st

162 Within their ligand binding pockets, NR3A and NR3B have strikingly di

163 e molecular volume in the region of the hVDR ligand binding pocket occupied by the ligand side-chain

164 The ligand binding pocket of 6B5 Fab has numerous aromatic s

165 laces a SNAPFL-labeled antiestrogen from the ligand binding pocket of a terbium-labeled estrogen rece

166 ontaining the beta-propeller domain from the ligand binding pocket of alpha4 exhibited the same signa

167 se results provided the first details of the ligand binding pocket of an eicosanoid-binding chemoattr

168 The ligand binding pocket of biogenic amine G protein-couple

169 Both Wy-14,643 and ciprofibrate occupied the ligand binding pocket of CAR and adapted a binding mode

170 lling allosterically the conformation of the ligand binding pocket of CD16.

171 erated antibodies specifically targeting the ligand binding pocket of CXCR4 receptor.

172 es different binding orientations within the ligand binding pocket of each receptor.

173 , thus contributing to the uniqueness of the ligand binding pocket of each receptor.

174 have used to probe the size and shape of the ligand binding pocket of ERalpha and ERbeta.

175 rect and variable agonistic link between the ligand binding pocket of integrins and the cell interior

176 These residues form part of the ligand binding pocket of MOR42-3.

177 the mutation of specific residues within the ligand binding pocket of PXR tunes the receptor's respon

178 Cys228 and Cys267 but not Cys258 lie in the ligand binding pocket of RARbeta.

179 crimination where 9a optimally addresses the ligand binding pocket of RXR.

180 ed on a protrusion above the entrance to the ligand binding pocket of the protein.

181 Functional structure of the ligand binding pocket of the receptor was confirmed by b

182 l validation of a computational model of the ligand binding pocket of the S1P1 GPCR surrounding the a

183 They find fatty acids filling the ligand binding pocket of this receptor long considered a

184 The ligand binding pocket of TR4 is filled by the C-terminal

185 was crystallized without added ligands, the ligand binding pockets of both closed and open forms con

186 iffering orientations that they adapt in the ligand binding pockets of ERalpha vs ERbeta.

187 We find that the allosteric ligand binding pockets of mGluRs are overlapping with th

188 Furthermore, the ligand binding pockets of P13K SH3 domain are occupied b

189 for these observations are variations in the ligand binding pockets of the three PPAR subtypes that a

190 f atoms in a ligand or for each residue in a ligand-binding pocket of a macromolecule could be calcul

191 g-term storage and relies on the hydrophobic ligand-binding pocket of AHR, with identical structural

192 suggest that this sequence forms part of the ligand-binding pocket of alpha5 beta1.

193 Furthermore, the ligand-binding pocket of apo-CRABPII showed evidence of

194 Furthermore, the ligand-binding pocket of apo-R111M, especially the ligan

195 impaired by a point mutation in the putative ligand-binding pocket of COI1.

196 ds have been synthesized indicating that the ligand-binding pocket of each RAR subtype has unique fea

197 uggesting that they target the high affinity ligand-binding pocket of EphA4 and inhibit ephrin-A5 bin

198 ese ligands are accommodated in the flexible ligand-binding pocket of ER.

199 er exhibits specific binding activity at the ligand-binding pocket of expressed GABAC receptors, desp

200 This new mutation modifies the ligand-binding pocket of fetal hemoglobin by means of tw

201 0 to unliganded GR stabilizes the unliganded ligand-binding pocket of GR indirectly by promoting an i

202 nnels, we mutated several amino acids in the ligand-binding pocket of MloK1, known from electrophysio

203 atic residues, found in the acetylcholine or ligand-binding pocket of nAChRs, are conserved in all su

204 ing a critical tyrosine residue found in the ligand-binding pocket of other haem-binding NEAT domains

205 a indicated that the interaction between the ligand-binding pocket of PDZ1 and an internal ligand on

206 esidues and six nonpolar residues within the ligand-binding pocket of PPAR-gamma that are reported to

207 ave termed "U" and "S", interacting with the ligand-binding pocket of PPARgamma primarily via hydroph

208 d, displaces the drug rosiglitazone from the ligand-binding pocket of PPARgamma.

209 s identified several key residues within the ligand-binding pocket of PXR that constitute points of i

210 ), a natural ligand binding to the classical ligand-binding pocket of RXRalpha.

211 acing individual or multiple residues in the ligand-binding pocket of S1P(2) with S1P(1) sequence did

212 site-directed mutagenesis, we elucidated the ligand-binding pocket of T2R4.

213 the contributions of four amino acids in the ligand-binding pocket of the enzyme that differ between

214 as to anaerobiosis and that residues in the ligand-binding pocket of the protein influence its abili

215 o receptor function because they connect the ligand-binding pocket of the receptor to the nucleotide-

216 ing with agonist hormones for binding in the ligand-binding pocket of the receptor.

217 ly compatible with steric constraints of the ligand-binding pocket of the receptor.

218 1alpha,25-(OH)(2)D(3)-binding motifs in the ligand-binding pocket of VDR.

219 Homology models predict that the ligand-binding pockets of KAI2d resemble D14.

220 dies identified several molecules within the ligand-binding pockets of RORalpha and RORbeta.

221 computational protein design techniques, the ligand-binding pockets of two periplasmic binding protei

222 However, the nature and function of the ligand binding pocket on alphaIIbbeta3 remains controver

223 ion cocrystal structures delineated a unique ligand-binding pocket on the Ras protein that is adjacen

224 A novel ligand-binding pocket on the RNR small subunit (RRM2) ne

225 the crystal structure shows that within the ligand-binding pocket only one adenine is highly specifi

226 nd to our structure identifies an additional ligand-binding pocket outside of the active site cleft.

227 late ligand binding directly by changing the ligand-binding pocket per se and/or indirectly by induci

228 Ligand-binding pocket point mutants of USP that do not b

229 Several potential ligand-binding pockets, positioned towards either end of

230 dies have implicated four amino acids in the ligand-binding pocket (positions 32, 47, 76, and 82).

231 The current structure also suggests that the ligand-binding pocket previously observed in the Cabin1-

232 The now validated ligand binding pocket provided us with a pharmacophore m

233 This computational map of the ligand binding pocket provides information necessary for

234 over, mutation of His-251 in the human A(1)R ligand binding pocket reduced AMP potency without affect

235 d five independent mutations in the putative ligand-binding pocket region that allow AphB to constitu

236 F adopts a unique orientation within the AHR ligand binding pocket relative to alphaNF and may facili

237 orin induces conformational changes in PXR's ligand binding pocket relative to structures of human PX

238 at D3.49/D6.30, further 2-AG entry into the ligand binding pocket results in both a W6.48 toggle swi

239 tails of the extensive charge network in the ligand binding pocket reveal additional interactions not

240 ure of MarR bound to salicylate revealed two ligand-binding pockets, SAL-A and SAL-B.

241 , which increase the free volume of the hVDR ligand binding pocket, significantly enhance MK antagoni

242 regulators: the structures show an extensive ligand-binding pocket spanning both monomers in the func

243 Interestingly, the residues lining the ligand binding pockets suggest that they both bind nitra

244 The location of Y223 in a potential ligand-binding pocket suggests that autophosphorylation

245 c amino acid residues in the entrance of the ligand-binding pocket than those with alpha-configuratio

246 th bovine/murine CRABP I shows msCRABP has a ligand binding pocket that can accommodate RA.

247 selectivity of a coactivator and a distinct ligand binding pocket that explains its selectivity for

248 ing a single nucleotide swap distal from the ligand binding pocket that we find to predictably contro

249 onstructed a large comprehensive database of ligand binding pockets that will be searched against by

250 ophobic residues on TM3 and TM7 form a broad ligand-binding pocket that can accommodate the diverse s

251 We identified key residues within hPXR's ligand-binding pocket that constitute points of interact

252 structure reveals important features of the ligand-binding pocket that contribute to the high affini

253 fied a single residue located outside of the ligand-binding pocket that controls mometasone furoate a

254 ly localized to the P1 helix adjacent to the ligand-binding pocket that likely presents a local kinet

255 differentially stabilized regions within the ligand-binding pocket that may contribute to the differe

256 resulted in identification of an alternative ligand-binding pocket that partially overlaps the genomi

257 ly conservative residue substitutions in the ligand binding pocket, the most selective compounds have

258 dentifies the disulfide bond and the retinal ligand binding pocket to be the most rigid region in rho

259 mic endogenous ligand binding to a canonical ligand-binding pocket to hyperactivate PPARgamma.

260 tion to ensuring the accessibility of the GR ligand-binding pocket to ligands, Hsp90 seems to enable

261 suggesting a conformational pathway from the ligand-binding pocket to regions that interact with G pr

262 coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region

263 During this opening, RGD slides in the ligand-binding pocket toward alphaIIb, with movement of

264 gand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima

265 or subtypes that utilize the same allosteric ligand-binding pocket, using wild-type receptors and chi

266 al opportunity to tune interactions with the ligand binding pocket via changes in hydrogen bond donor

267 nd not deep within the TM regions, where the ligand-binding pocket was first proposed and identified

268 Crystal structures have defined the ligand binding pocket well beyond what was suggested by

269 acid residues that span the entire putative ligand binding pocket were used in this study.

270 S1P(2) point mutants of the ligand-binding pocket were characterized.

271 cally changed the residues in the allosteric ligand-binding pocket were studied in the presence of Y1

272 n energetically preferring a pose in the VDR ligand binding pocket where its terminal C26-methylene a

273 und in ZM241385, which extends deep into the ligand-binding pocket where it makes polar interactions

274 helix 12 is folded over the entrance to the ligand-binding pocket where it serves as a lid, and it h

275 28 lies closer to the opening of the RARbeta ligand binding pocket whereas Cys267 lies more deeply bu

276 otential on the face containing entry to the ligand binding pocket, whereas LJM111 is negative to neu

277 Some studies suggest the presence of two ligand binding pockets, whereas other reports indicate a

278 A binds carbonic acid at the entrance to the ligand-binding pocket, whereas bicarbonate binds in near

279 One was located in the consensus ligand-binding pocket, whereas the other bound to a site

280 lso pushes the heme toward the substrate and ligand binding pocket, which relocates the substrate to

281 confirmed 18 residues lining the hydrophobic ligand binding pocket, which, combined with the previous

282 e structural features within the diverse Epa ligand binding pockets, which affect affinity and specif

283 formation is enabled by a deeply penetrating ligand-binding pocket, which in turn results from a nonc

284 ailable structures of apoNPC2, the incipient ligand-binding pocket, which ranges from a loosely packe

285 nidinium group of Arg(226) at one end of the ligand binding pocket, while the aliphatic chain fills a

286 amino acid predicted to be in the ERR alpha ligand-binding pocket with the corresponding ERR gamma r

287 that this orientation of the steroid in the ligand-binding pocket, with the steroid A-ring in contac

288 LBD) is a helical sandwich fold that nests a ligand binding pocket within the bottom half of the doma

289 We report here the discovery of a ligand binding pocket within the catalytic domain of BAC

290 Most research has focused on identifying the ligand binding pocket within the helical bundle, whereas

291 The presence of a well-defined ligand-binding pocket within the highly conserved IRES s

292 y altering the region bounded by AF2 and the ligand binding pocket without affecting equilibrium andr

293 Occupancy of the ligand binding pocket without cell activation was suffic

294 to fine tune allostery on changes to the CAP ligand-binding pocket without a drive to a noncooperativ

295 ming primarily hydrophobic contacts with the ligand-binding pocket without direct hydrogen-bonding in