ライフサイエンスコーパス: subsite

1 2 in the MMP-13 S1' subsite and in an S1/S2* subsite.

2 et and interacting additionally with the S3' subsite.

3 a predominant binding mode involving the -4 subsite.

4 tide backbone that resulted in a narrowed S1 subsite.

5 ntributes to formation of the cylindrical S1 subsite.

6 methylation of the galactose unit in the -1 subsite.

7 ne in PR(V82A) increases the size of the S1' subsite.

8 reduced interactions with residues in the S2 subsite.

9 e placement of the conserved Pro at the P(3) subsite.

10 ion with gastric cancer differed by anatomic subsite.

11 has declined to the lowest risk level of any subsite.

12 e terminal nonreducing sugar in the acceptor subsite.

13 the glycosidic bond of mannosides at the -1 subsite.

14 ns of the azadithiolate ligand in the [2Fe]H subsite.

15 , R264 at the S2 subsite, and E265 at the S4 subsite.

16 modulate the allosteric effect of the strong subsite.

17 cupant of either pyrophosphate or tryptophan subsite.

18 es predominantly from the strong DNA-binding subsite.

19 nc ion and their side chain occupying the S1 subsite.

20 DNA exclusively using the proper DNA-binding subsite.

21 t a specificity determinant at this aglycone subsite.

22 consistent with a model of binding to the S3 subsite.

23 f a properly predisposed substrate in the -1 subsite.

24 and probe chemical preferences of, this S2' subsite.

25 tate having a short Fe-(13)C bond in the 2Fe subsite.

26 te binding and recognition at the +2 binding subsite.

27 and contains at least nine substrate binding subsites.

28 Associations were similar among subsites.

29 F) coupled Fe2(III/III) center with resolved subsites.

30 ass of inhibitors that bind uniquely in both subsites.

31 rend = .01), with similar trends at anatomic subsites.

32 es have conducted investigations by anatomic subsites.

33 LA1 exhibited unique interactions at several subsites.

34 opharyngeal, nasopharyngeal, and oral cavity subsites.

35 dated in the glycone as well as the aglycone subsites.

36 nearby smaller CSs identify other important subsites.

37 -prime and hydrophilic residues in the prime subsites.

38 matically in the V-B loop next to the primed subsites.

39 apped DNA, using only one of the DNA-binding subsites.

40 pol X, which is composed of two DNA-binding subsites.

41 e while specificity is conferred by separate subsites.

42 tes extensive interfacial contacts with five subsites.

43 the basis of success in other head and neck subsites.

44 ccommodate xylan substitutions at almost all subsites.

45 gands got longer and potentially filled more subsites.

46 h unique {His2Cys2} ligation and distinct Fe subsites.

47 hydrolysis as well as the substrate-binding subsites (-1 to +2).

48 Subsite +1 analysis revealed three residues (Ala-2249, G

49 GLs, a pocket-like structure and lid loop at subsite +1 are characteristic of Phep_2830.

50 or alpha1-4-glycosidic bond) at the acceptor subsite +1 for the catalytically competent orientation o

51 Such topology at subsite +1 is likely favoring other possible fructose bi

52 38, Ala-978, and Leu-981 from domain B) near subsite +1 that may be critical for linkage specificity

53 rides are well accommodated in the pocket at subsite +1, and aromatic residues of the lid loop are re

54 and cellotriose reveal the important role of subsites +1 and +2 for sugar binding.

55 The acceptor subsites +1 to +4 in the S. coelicolor enzyme are well c

56 The sugar residues in the acceptor subsites +1 to +5 are oriented such that they disfavor t

57 m the C2 carbon atom of the covalently bound subsite -1 glucosyl residue, thus explaining the unique

58 hat the binding interactions are stronger at subsite -1 to enable the binding of various alpha-galact

59 Residues forming subsite -1, involved in binding the glucosyl residue of

60 ement of the invariant Trp(336) at catalytic subsite -1.

61 hesized to explore noncharge interactions in subsite 2 of the influenza virus sialidase active site.

62 r, two different positions are observed from subsite +2 depending on the substrate, and thus, a flexi

63 n Asn(462) and xylose at the nonreducing end subsite +2 was important for the higher activity of subs

64 s the presence of 3-6-anhydro-l-galactose in subsite -2.

65 onserved loop closing the active site beyond subsite -2.

66 tes were observed, the sugar unit located at subsite +3 being recognized by interaction with the beta

67 e of the backbone xylose O2 and O3 groups at subsites -3 and +2 allow accommodation of alpha1,2-linke

68 sugar-binding site of CBM35, which acted as subsite -8, representing the enzyme.substrate complex wh

69 he abstraction of the alpha-proton in the -1 subsite, a residue that is highly conserved throughout t

70 that alpha-elastin species cover the primed subsites, a strip across the beta-sheet from beta-strand

71 tes contains two tandem 10-bp OmpR-P-binding subsites, a-site and b-site (from 5' to 3' direction).

72 arabinose and xylose side chains at the -2* subsite, abrogates catalytic activity.

73 In subsite analyses, flavonoid intake was also not associat

74 nding modes for compound 2 in the MMP-13 S1' subsite and in an S1/S2* subsite.

75 ts deletion opens the enzyme cleft at the -3 subsite and turns the enzyme into an endo-beta(1,4)-gluc

76 ng module, thus creating additional plus (+) subsites and funneling the polymeric substrate through t

77 of cohort study results of colorectal cancer subsites and GI and GL intake.

78 sphates interact via three phosphate binding subsites and one solvent-exposed site that could in prin

79 indicate substantial differences in the PEP subsites and open the opportunity for the design of sele

80 ide provided insights into substrate-binding subsites and peptidoglycan recognition.

81 (76) and Pro(131)-Thr(132) limit the P1'-P2' subsites and restrict the cleavage preferences of the WN

82 ill in the hydrophobic pocket in the S1'-S2' subsites and retain all major hydrogen bonding interacti

83 with respect to age, sex, race, tumor grade, subsites and stage, or EGFR expression by analyses of RN

84 Despite the multiple head and neck tumor subsites and the variety of treatments, we found in this

85 3 and N274 at the S1 subsite, R264 at the S2 subsite, and E265 at the S4 subsite.

86 er gastric carcinomas based on sex, anatomic subsite, and surgically disrupted anatomy, indicating th

87 DNA), the location of the strong DNA-binding subsite, and the effect of the nucleotide cofactors, bou

88 d stratification by age group, sex, anatomic subsites, and cancer stage.

89 usly treated HNSCC at specific head and neck subsites, and determine the influence of cancer therapy

90 rization of the active cleft glucose binding subsites, and substrate specificity of EngD on soluble a

91 ts in the prevention of colorectal cancer by subsites are warranted.

92 simulations showed local rigidity of the -1 subsite as well as flexibility of loops involved in acti

93 ons with both prime and nonprime active site subsites as well as with secondary binding sites (exosit

94 als structures showing at least four binding subsites at each active site.

95 vely charged ligand part at the bottom of S2 subsite, at the entrance of S1' subsite, or the part of

96 Each of the antibodies had antigen subsite binding specificities in aqueous medium for smal

97 rophobic residues on the protease reflect S' subsite binding.

98 lution, which indicates that Asp189 (fXa, S1 subsite) binds to Arg40 (NAP5, P1 site) in a mode simila

99 These subsites bury approximately 1,080 A(2)of surface area, o

100 te cleft that contains seven glucose-binding subsites, but unlike the majority of structurally determ

101 daptations that control the presence of each subsite by steric blocking or hydrogen bonding.

102 tratified by histologic subtype and anatomic subsite, by Helicobacter pylori infection status, by geo

103 at W138 indeed acts to limit the size of the subsite C binding pocket, determining specificity for 2,

104 The -2* subsite can also bind to Xylp and Arap, explaining why t

105 Man5A reveals that a polar residue at the -2 subsite can make productive contact with the substrate 2

106 d by structural rearrangements of the diiron subsite CO/CN ligand field.

107 on and promotes a physical barrier at the +2 subsite conferring this unique mode of action within the

108 ith some of the residues in the NaMN binding subsite consistent with the competitive inhibition obser

109 C1 of the sugar residue bound within the -1 subsite, consistent with its proposed role as the cataly

110 In yeast, the Rnr2 peptide binds at subsites consisting of residues that are highly conserve

111 ight that an insertion between the +1 and +2 subsites contributes to the enzyme's activity and substr

112 rogenase contains a catalytic binuclear iron subsite coordinated by CN(-) and CO ligands as well as a

113 Nevertheless, the variant subsites could be rearranged in different geometries tha

114 th aminoacylation, and a fourth 'orthogonal' subsite created as a consequence of binding.

115 u 115 in gp144) occurs between sugar-binding subsites D and E.

116 It is concluded that 2 subsites, D187-R193 and D252-P256, in the metalloproteas

117 Where subsite data were available, aspirin reduced risk of can

118 Among individuals from whom subsite data were available, we observed 1264 proximal c

119 the existence of -3 to +2 substrate-binding subsites demonstrated.

120 onds in register with the antibody catalytic subsite despite a common noncovalent binding mechanism.

121 n glucose) configuration, while other distal subsites do not exploit the 2-OH group as a specificity

122 ith an occasional first flush occurring at a subsite draining suburban land.

123 e occur in electron exchange with the diiron subsite during catalysis and mediate electron transfer w

124 bitor translation by up to 4 A toward the P3 subsite exit of the active site, increased P3 subsite ex

125 ubsite exit of the active site, increased P3 subsite exposure to solvent and a complete loss of hydro

126 The binuclear subsite Fe2(adt)(CO)3(CN)2 is attached through a bridgin

127 The (2FeH) subsite features a diatomic coordination sphere composed

128 cket and reveals the presence of a conserved subsite for the signal.

129 ls a large, solvent-exposed active site with subsites for ATP and PRPP substrates.

130 tended chitin-binding cleft, containing five subsites for sugars, namely (-3)(-2)(-1)(+1)(+2), with T

131 nificant trend of cancer risk for smoking in subsites from the cecum (HR = 1.41) to the proximal colo

132 eloped and investigated; however, the LF S2' subsite has not yet been systematically explored as a po

133 peptides utilised, only a limited number of subsites have however been assessed.

134 med competing-risks regression and tests for subsite heterogeneity (proximal colon: n = 821; distal c

135 anchor to establish initial contacts within subsite I, and this is followed by formation of a stabil

136 drocarbazole moieties as "anchors" to occupy subsite I.

137 III, by rearrangement of a loop adjacent to subsite I.

138 uses a common surface pocket composed of two subsites (I and II) to interact with LMs in multiple bin

139 via a sequential mechanism that involves two subsites (I and II).

140 okinase-activated PA variant with LF-binding subsite II residue Arg200 mutated to Ala, and PA-L1-I210

141 network between the flanking LM residues and subsite II.

142 he side chain of M362 and lie at the edge of subsite II.

143 metalloproteinase-activated PA variant with subsite III residue Ile210 mutated to Ala.

144 he formation of a new binding pocket, termed subsite III, by rearrangement of a loop adjacent to subs

145 ycan modifications via carbohydrate-specific subsites immediately adjacent to their peptidase catalyt

146 ug fit of the large tris-THF group in the S2 subsite in agreement with high antiviral efficacy of 1 o

147 ith the dsDNA using its strong ssDNA-binding subsite in an orientation very different from the comple

148 predominantly engages the strong DNA-binding subsite in interactions with the gap and assumes a very

149 cNAc and MurNAc bound to CPGRP-S at the same subsite in molecule C.

150 cavity) in addition to the primary catalytic subsite in order to increase specificity and reduce the

151 e(II)) organometallics that model the 2-iron subsite in the active site of [FeFe]-hydrogenase: (mu-pd

152 d at the junction between the purine-binding subsite in the beta6-alpha5 loop and the C-terminal alph

153 ker, enabling the targeting of an additional subsite in the crevice.

154 ucture of the complex shows that a secondary subsite in the S(1) pocket is present, and that this sit

155 lationships (SARs) at each of the structural subsites in 2 were explored with substantial improvement

156 ciation according to histologic subtypes and subsites in a large population-based screening study in

157 DM4A/KDM4B inhibitor, 4, that occupies three subsites in the binding pocket is identified by virtual

158 e, xylotriose, and xylohexaose revealed five subsites in the catalytic cleft and an l-arabinose-bindi

159 is enzyme has approximately 10 glucopyranose subsites in the catalytic tunnel, and using COS ligands

160 Together with the absence of specificity subsites in the structure, this suggests an electrostati

161 at either of the loops enclosing the product subsites in the TfuCel6B active site tunnel must open su

162 uited from six clinical sites and additional subsites in the USA between Nov 12, 2010, and April 21,

163 , with a conserved glycone region (-1 and -2 subsites), including a conserved loop closing the active

164 bonds and hydrophobic interactions at the +2 subsite, indicating that the decoration may represent a

165 site and exclusively the strong DNA-binding subsite is a minimum four-step mechanism [formula: see t

166 he H-cluster and confirms that the [4Fe-4S]H subsite is also redox active and as such an integral par

167 with a selectively (57)Fe-labeled binuclear subsite is described.

168 tructures, the d-galactose residue in the -1 subsite is distorted into a (1)S3 skew boat conformation

169 This subsite is in the form of a cylinder, about 10 A in cros

170 suggest strongly that the proper DNA-binding subsite is located on the non-catalytic C-terminal domai

171 at the tighter mannose recognition at the -2 subsite is mediated by polar interactions with the axial

172 al alpha2-beta1 loop may do so) and the B(2) subsite is rudimentary.

173 S3 subsite is the best target for development of specific T

174 The role of the weak DNA-binding subsite is to modulate the allosteric effect of the stro

175 nity, indicating that the proper DNA-binding subsite is, in fact, the specific dsDNA-binding site.

176 The simultaneous occupancy of both subsites is required for high-affinity binding to TRIP13

177 These subsites likely align the polymer in the correct registe

178 ex revealed unambiguous distortion of the -1 subsite mannoside to an (O)S2 conformation, matching tha

179 strong interaction with substrate at the -4 subsite mediated by two aromatic residues Trp-244 and Tr

180 interactions of larger substrates in the S2 subsite moderate chloride affinity in the chloride 2 poc

181 The P1 subsite moves beyond the hydrophobic active site side po

182 ong-range conformational equilibria controls subsite occupancy and ligand binding.

183 at changes in the variable residue in the S1 subsite of M1-aminopeptidases have facilitated the evolu

184 rase (SAT) with cysteine bound in the serine subsite of the active site shows that both H154 and H189

185 yl amide side chain occupies the hydrophobic subsite of the active site where it forms three addition

186 The strong DNA-binding subsite of the enzyme is located on the helicase domain

187 27' carbonyl and Arg-8 side chain in the S1'-subsite of the HIV protease.

188 he flap Gly48 carbonyl or amide NH in the S2-subsite of the HIV-1 protease.

189 ion of SPM differ significantly according to subsite of the index cancer.

190 s was achieved through modulation of the P2* subsite of the inhibitor which identified the isoquinoli

191 hed that small structural changes to the P2* subsite of the molecule had a significant impact on the

192 ns with residues of the substrate binding S1 subsite of the nsp5 active-site cavity.

193 rally models the trimanganese-calcium-cubane subsite of the OEC.

194 S is generally located at the most important subsite of the protein binding site, and the nearby smal

195 igh affinity for the inner thyroxine binding subsite of transthyretin (TTR) was conceived of by struc

196 g revealed that the conserved hydrophobic S2 subsite of trypsin and the unique Asp(218), which forms

197 conformation to occupy the contiguous S1-S3 subsites of BACE1, we have designed a novel fused bicycl

198 Ligand 1 occupies the S(1) and S(2) subsites of cathepsin G and chymase similarly, with the

199 MMPs have interactions spanning the P23-P23' subsites of collagenous substrates.

200 the oxyanion hole, and the S- and S'-binding subsites of GlpG, which are the key determinants of subs

201 d head and neck cancer (SIR, 2.8), including subsites of head and neck cancer with confirmed HPV asso

202 ns with the backbone atoms in the S1' and S2 subsites of HIV-1 protease.

203 te with previous treatment with radiation or subsites of HNSCC.

204 itor makes optimal hydrogen bonds within the subsites of PDF.

205 enzyme, we have now identified the +1 to +6 subsites of the acceptor/product, which overlap with the

206 e two positions correspond to the S3 and S3' subsites of the active site.

207 eractions of peptide CDK inhibitors with key subsites of the cyclin binding groove provide for the re

208 inhibition whereby it binds within the S4-S3 subsites of the enzyme and induces a loop closure that s

209 that are designed to bind in the S1' and S2' subsites of the enzyme, and position the metal chelating

210 -mannobiose structurally define the -2 to +2 subsites of the enzyme.

211 in changes the engagement of the DNA-binding subsites of the helicase in interactions with the nuclei

212 xhibit preformed indole subsites; the indole subsites of the open Na(+) complexes are collapsed, dist

213 Furthermore, incidence of SCC in all other subsites of the oral cavity was decreasing.

214 n a substrate-like manner filling the S6-S5' subsites of the substrate binding cleft.

215 the amide bond between Gly-Val in the P1-P1' subsites of the triple-helical peptide.

216 A previously unidentified cargo subsite on PACS-1 and PACS-2 interacted with a bipartite

217 Cooperative binding of a ligand to multiple subsites on a protein is a common theme among enzymes an

218 ination with variable interactions with five subsites on the binding surface, lead to different stoic

219 data show that the domains bind to distinct subsites on the myosin head, suggesting distinct roles i

220 e each LF binding site is comprised of three subsites on two adjacent PA monomers.

221 CRC that does not vary according to anatomic subsite or molecular subtype.

222 tween dietary patterns and specific anatomic subsites or molecular subtypes of CRC.

223 analyses by sex, family history, colorectal subsite, or features of metachronous lesions.

224 bottom of S2 subsite, at the entrance of S1' subsite, or the part of S3' subsite that is close to cat

225 nts' mean age (P = .03) and tumors' anatomic subsite (P = .0001) and grade (P = .0001) were significa

226 PR with a substrate-based inhibitor bound in subsites P5 through P5'.

227 ique Asp(218), which forms part of the S3-S4 subsite, participate in distinct inhibitory interactions

228 factors for PES, including tumour stage and subsite, patient age, and comorbidities.

229 s study indicates that alteration of this S2 subsite plays an important role in determining the activ

230 d open complex formation; (ii) the distal UP subsite plays the key role in this relaxation; (iii) mod

231 ent for C6-sulfate in the -2- and +1-binding subsites, PorB tolerates the presence of 3-6-anhydro-l-g

232 human enzyme with proline in the variable S1 subsite position.

233 hydrolytic activity by memapsin 2 and these subsites prefer hydrophobic residues, especially tryptop

234 e mouse and human marapsins are tryptic with subsite preferences distinct from those of prostasin, la

235 To determine the subsite preferences of KLK7 in a global setting, we used

236 due mutant PR3 (I217R) to investigate the S4 subsite preferences of PR3 and HNE and used the best pep

237 The S3-S3' subsite preferences of the recombinant mature PfPM1 were

238 KLK7 subsite preferences were also characterised in the P2-P2

239 predicted solvent exposure of O6 at several subsites provides an explanation for the observed accomm

240 groove is formed by L263 and N274 at the S1 subsite, R264 at the S2 subsite, and E265 at the S4 subs

241 in part to structural differences in binding subsites, receptor subunit interfaces, or transmembrane

242 /A4 will likely effect alpha-exosite and S1' subsite recognition, respectively.

243 ractions due to PR20 mutations in the S2/S2' subsites relative to PR.

244 eal that the presence of d-mannose at the +1 subsite renders the acid catalyst less efficient during

245 age site between nsP1 and nsP2) and 1052 (S4 subsite residue of nsP2 protease) in the nonstructural p

246 Effects of 11 substitutions of the S1 subsite residue valine 459 in the Plasmodium falciparum

247 ology modeling to predict the S1, S2, and S4 subsite residues of the Hap substrate groove.

248 e/guanine discrimination at the B(1) or B(2) subsites, respectively.

249 at the presence of an anion in the phosphate subsite restricts the mobility of the Trp60-containing l

250 e on state is triggered by ligand binding at subsites S1 to S4 and appears to underlie the preferenti

251 ce for hydrophobic and aliphatic residues in subsite S2 and for positively charged residues in S1.

252 to the recognition of precise decorations at subsite S2.

253 chains of several residues in the S1 and S1' subsites shift as much as 1.5 A compared to EcMetAP.

254 complex with mannose bound in the -1 and +1 subsites showed that a pair of glutamates, Glu(227) and

255 Results did not differ by cancer subsite, source of vitamin B-6 (food or supplement), alc

256 y was to assess the risk of CRC (overall and subsite specific) among EC survivors.

257 strate-binding site of TRIP13 is composed of subsites specific for p31(comet) and C-Mad2-containing c

258 Our objectives were to identify HNSCC subsite-specific differences in SPM risk and distributio

259 evaluate colorectal cancer (CRC) and whether subsite-specific risk models are warranted.

260 ubstitution with proline, which collapsed S1 subsite specificity such that only substrates with P1-Ar

261 ral variation contributes to diversity in S1 subsite specificity.

262 rs for dipeptide hydrolysis and remodeled S1 subsite specificity.

263 FCO1 hydrolyzes H-disaccharide (lacking a +2 subsite sugar) at a rate 10(3)-fold slower than 2'-fucos

264 We also identified key residues in this subsite that can potentially be targeted to improve inhi

265 entrance of S1' subsite, or the part of S3' subsite that is close to catalytic zinc.

266 ture of NpXyn11A reveals potential -3 and +3 subsites that are kinetically significant.

267 trisaccharides reveals the presence of four subsites that bind individual glucose ring units.

268 l substrate specificity is attained by three subsites that preferentially bind anionic residues (sulf

269 ntered by designing inhibitors with terminal subsites that provide sufficient anchoring to the flaps,

270 ve complex forms by utilizing seven distinct subsites that traverse the entire length of the active s

271 he active site is located in the pocket (-2* subsite) that abuts onto the catalytic center.

272 cetate, which occupies the alpha-carboxylate subsite, the equilibrium between tautomers is shifted to

273 The presence of multiple subsites, the electropositive groove, and the non-random

274 of Cs(+) complexes exhibit preformed indole subsites; the indole subsites of the open Na(+) complexe

275 Residues surrounding the +1 subsite thus are critical for activity and specificity o

276 across one negative and up to three positive subsites, thus providing structural rationalization for

277 Through linking of a di-iron subsite to a {4Fe4S} cluster, we achieve the first synth

278 tion of the importance of residues forming a subsite to accommodate meso-2,6-diaminopimelic acid in b

279 MT-MMPs have a requirement for Gly in the P1 subsite to be able to efficiently process a triple-helic

280 ggests the cofactor-binding site as a unique subsite to target in drug design directed against NAT in

281 whereby desosamine is recognized in the two subsites to allow the macrolide substrate to sequentiall

282 the structural evidence for the five binding subsite topology.

283 Substrate interactions in the S2 subsite were shown to affect chloride affinity in the ch

284 Up to five subsites were observed, the sugar unit located at subsit

285 his group occupies the hydrophobic S(3)/S(4) subsites, whereas in chymase, it does not; rather, it fo

286 ymes select for glucose or mannose at distal subsites, which is critical to defining their substrate

287 strate and product moieties bind to a single subsite while specificity is conferred by separate subsi

288 ot distinguish between Man and Glc at the -2 subsite, while one of these residues, Arg 361, confers t

289 ate glucose or mannose at both its -2 and +1 subsites, while the GH26 Bacillus subtilis mannanase, Bs

290 ysteine thiolate to an organometallic diiron subsite with CO, CN, and dithiolate ligands, in [FeFe]-h

291 iously, potent inhibitors have targeted this subsite with hydrophilic substituents such as amines and

292 ed by the interaction of the well defined S1 subsite with the side chain of the first (P1) residue of

293 ive site identified multiple but overlapping subsites with sufficient space for benzbromarone binding

294 stronger restriction of catalysis at the S1 subsite, with a preference for lysine, arginine, leucine

295 ys-1752 residue, which interacts with the S2 subsite, with Val, Met, or Ile has little effect on wild

296 ere, we show that PS1 mutations alter the S2 subsite within the active site of gamma-secretase using

297 d by catch bond properties of the 1M-binding subsite within the extended oligosaccharide-binding pock

298 elidin simultaneously occupies four distinct subsites within the catalytic domain of bacterial and hu

299 rk, we provided evidence for the presence of subsites within the CB1 and CB2 cannabinoid receptor bin

300 c residues between the alpha-GluII +1 and +2 subsites would have increased potency and selectivity, t