ライフサイエンスコーパス: active site

1 , Lys-565 and Lys-663, coordinate ATP in the active site.

2 ansition-metal ion (Fe(2+) or Ni(2+)) in the active site.

3 ion with two aspartate carboxy groups at the active site.

4 and perturbing/inactivating the phosphatase active site.

5 substrates and products enter and leave the active site.

6 arge motions by four loops that surround the active site.

7 the distal end of the motor domain with the active site.

8 s the channeling of two nickel ions into the active site.

9 residues of the precursor peptide within the active site.

10 that effectively disassemble the adenylation active site.

11 of Pol mu with a ribonucleotide bound at the active site.

12 actions using two divalent metal ions in the active site.

13 olar and radical transformations in the same active site.

14 CS on Lys-395, which is localized in the CS active site.

15 trance of the substrate UDP-glucose into the active site.

16 "pre-bound" molecular oxygen adjacent to the active site.

17 alculations) to improve the structure of the active site.

18 the cross-linked Tyr residue present at the active site.

19 flexible loop (residues 70-81) covering the active site.

20 n-line pockets for substrate binding and the active site.

21 often mediated by substitutions outside the active site.

22 rs ATP binding and the core structure of the active site.

23 catalytic domain with a Zn(2+) bound at its active site.

24 ng a distinct non-primed binding mode to the active site.

25 lective of the transition state at the CARM1 active site.

26 nd that they are distinct from the enzymatic active site.

27 ion and substrate-specific adaptation of the active site.

28 n within the enzyme and its reactions at the active site.

29 tward-facing position pointing away from the active site.

30 lows us to model DNA binding in the nuclease active site.

31 nment of a substrate delivery channel to the active site.

32 iary interactions, and molecular kink at the active site.

33 lysis, likely through binding at or near the active site.

34 structure and the catalytic chemistry at its active site.

35 ate binding site distinct from the sialidase active site.

36 ements of PEG and water molecules within the active site.

37 eta-sheet regions in domain B distant to the active site.

38 ries that transfer electrons to and from the active site.

39 shows that it fills three key pockets in the active site.

40 t oxidize sulfite to sulfate at a molybdenum active site.

41 with respect to the substrate in the enzyme active site.

42 and the Pb(IV) product remains bound in the active site.

43 flexibility and accessibility of the enzyme active site.

44 en Candida albicans with GDP and Mg2+ in the active site.

45 IM) barrel structure with a highly conserved active site.

46 e Glc and not by rearrangement of Glc in the active site.

47 causing an electrostatic perturbation at the active site.

48 l-glutamate-gamma-semialdehyde dehydrogenase active sites.

49 mbination with CH3CO radicals on adjacent Pd active sites.

50 hindered by their constrained pocket-shaped active sites.

51 onstraints in pockets of enzymes stabilizing active sites.

52 inserted along its backbone chain working as active sites.

53 can provide abundant unsaturated defects as active sites.

54 knowledge of the location and nature of the active sites.

55 ibutions have enabled the rational design of active sites.

56 her enzymes having constrained pocket-shaped active sites.

57 efficacy of this trigger in other PLP-enzyme active sites.

58 reaction kinetics by providing more exposed active sites.

59 tRNA(Cys) between SepRS and SepCysS distant active sites.

60 vation time increases the population of such active sites.

61 as the precursors to the methane-converting active sites.

62 tion of l-Arg resulted in compression of the active site, a conformational change of the carboxylate

63 by shortening the distance between Pd and Ni active sites, achieved through shape transformation from

64 how oxidation-state-dependent changes at the active site alter its inhibitor binding properties.

65 The results identify crucial roles for the active site amino acid trio in determining OleTJE cataly

66 n-bond-interactions with HIV-1 protease (PR) active-site amino acids and is bulkier with a larger con

67 on product GlcA, revealed a location for the active site among beta-propeller enzymes cited on the po

68 of the heptaketide mimetic deep into the PT active site and anchor one end of this linear array to p

69 acity, the Pro-->2-Hyp conversion alters the active site and enhances significantly deacetylase activ

70 evaluated for in vitro binding to the enzyme active site and for inhibition constants.

71 e for modeling this reaction inside the SpnF active site and inferring the catalytic architecture of

72 res with the deacetylation reaction the same active site and one catalytic residue, and utilizes mole

73 , the heme 7-propionate is positioned in the active site and provides additional restraints on substr

74 ume ratio, favorable orientation of antibody active sites and approaching the source of the electric

75 omium species (i.e., low coordinated) as the active sites and attribute a fundamental role to externa

76 catalysts to probe the relationship between active sites and catalytic activity for the electroreduc

77 found to improve electronic coupling between active sites and current collecting substrates without t

78 strate specificity in enzymes with identical active sites and guide the future design of organophosph

79 Active sites and ligand-binding cavities in native prote

80 sphatase (DFPase) have essentially identical active sites and tertiary structures.

81 th evolutionary conservation and distance to active site, and anticorrelated with contact number.

82 Asp206, which form a pocket adjacent to the active site, and galloyl-containing theaflavins are then

83 cis-BP-N (2)-dG adducts in a DNA polymerase active site, and offer a basis for understanding error-f

84 tic domain of human A3B has a tightly closed active site, and rearrangement of the surrounding loops

85 h insights into the enzyme architecture, its active site, and the cofactor binding mode.

86 Here, we show that DTD's active site architecture can efficiently edit mischarged

87 ctivity and to reveal unexpected features of active site architecture.

88 We speculate that the superfamily active-site architecture involved in nucleophile positio

89 The active-site architecture of LigY resembled that of alpha

90 Protonated states of the nitrogenase active site are mechanistically significant since substr

91 contain a shared core protein fold but whose active sites are located in entirely different regions,

92 embrane interaction, toward which the kinase active sites are oriented.

93 rameworks decorated with uniformly dispersed active sites are prepared by using polyaniline as a grap

94 These active sites are stable up to 800 degrees C in oxidizing

95 interface between Hda monomers occludes the active site arginine finger, blocking its access to DnaA

96 tance occurs through an unusual ground state active site arrangement or by thermally sampling conform

97 n inhibitor's amine group with the conserved active-site Asp is essential for activity and likely dic

98 a cytidine deaminase with ssDNA bound in the active site at 2.2 A.

99 ic zinc, thus increasing the activity at one active site at the cost of preventing substrate from ado

100 Most of the loops surrounding the active site become more ordered upon PPACK-binding, but

101 tes), including a conserved loop closing the active site beyond subsite -2.

102 Substitution of the active site binding arginine of CP2 to N-varepsilon-trim

103 e next isolated two anti-muPA nanobodies; an active-site binding nanobody and an allosteric nanobody.

104 First, the heme active site binds carbon monoxide in both micelles and f

105 descriptor for C-C coupling, identifying two active sites, both of which have an under-coordinated su

106 l dNTPs, due to their low fidelity and loose active site, but are limited by poor processivity and ac

107 e (4)C1 conformation within the GH125 enzyme active site, but the FEL of corresponding O-glycoside su

108 nal helices enable MapZ to disrupt the CheR1 active site by dislodging a structural domain.

109 in altering the solvent accessibility of the active site by expanding the active site volume, allowin

110 exclusion and the core H-bond network in the active site by relocating to replace the missing Arg85'

111 he emergence and subsequent evolution of new active sites by improving substrate and transition-state

112 of concept that both sides of DENV protease active site can be exploited to potentially achieve spec

113 ons in the hetero-tetramer interface and the active sites can abolish Pseudomonas aeruginosa growth i

114 driven by the complementarity of the enzyme active site cleft and the conformation of the substrate.

115 e nature of Nun interactions inside the RNAP active site cleft suggests that RNAP clamp opening is re

116 the structural bases for allosteric site-to-active site communication and for beta-lactam mimicry of

117 mate gatekeeper and a sterically constricted active site confer specificity for N(8)-acetylspermidine

118 urprisingly pervasive double-Psi beta-barrel active-site configuration among different nucleic acid p

119 Free-energy simulations elucidate the active site conformations in the AppA (activation of pho

120 The viperin putative active site contains several conserved positively charge

121 h the enhanced conductivity and the retained active sites contributed to the remarkable electrocataly

122 work of hydrogen bonds, and couples pairs of active sites controlled by a unique water channel.

123 The reduced redox state of the active-site copper and not the subsequent formation of t

124 ic lysine (Lys163) in domain 2 away from the active site core, whereas the two other active site lysi

125 dicted covalent S-homopyruvoyl adduct of the active-site Cys191.

126 ed across the Herpesviridae; mutation of the active site cysteine results in a loss of enzymatic acti

127 through the oxidation and reduction of their active site cysteine.

128 ucleus, and blocking (or oxidation) of GAPDH active site cysteines suppressed GAPDH/Ape1 interaction

129 econstitution with wild-type, but not enzyme-active site-deficient DHHC3.

130 foliation enables simultaneous modulation of active site density and intrinsic HER activity regardles

131 o-crystal structure analysis revealed a dual active site-directed and allosteric inhibition mode of t

132 The iPGM active site dynamically assembles through substrate-trig

133 he movement of one dynamic domain widens the active site entrance, while another domain acts like a l

134 offer a new way to design three-dimensional active site environments for synthetic catalysts.

135 he electronic states of PLP through distinct active site environments.

136 unreported monodentate interaction with the active site Fe(2+) ion, while the benzonitrile group acc

137 computational, and binding studies elucidate active-site features that explain how orthologs can gene

138 Altering the chemical environment around the active site FeMo-cofactor in the MoFe protein, either by

139 dinitrogen (N2) to two ammonia (NH3) at its active site FeMo-cofactor through a mechanism involving

140 n fitted into the HER volcano plot, the MoS2 active sites follow a trend distinct from conventional m

141 auIII is not accessible to the corresponding active site for SOAT2 located on the luminal side.

142 olve the long-standing controversy about the active sites for SCR of NO with NH3 by supported V2O5-WO

143 atomic Fe model catalysts, we elucidated the active site formation process through correlating measur

144 ng approach with a thermodynamic analysis of active site formation to provide a map of methane activa

145 mino acids that may function in catalysis or active site formation.

146 ce, we propose different possible routes for active-site formation.

147 rge separation by rGO and more catalytically active sites from MoS2.

148 The active site geometry further suppresses C-C bond formati

149 ctures using measurements biased towards the active site geometry.

150 three-dimensional representation of the SLO active site ground state contains a reactive (a) conform

151 domonas reinhardtii, which contains only the active-site "H cluster," and CpI from the fermentative a

152 However, other mutations found in the active site have also been identified in tumors.

153 larities between caspase-6 and other caspase active sites have hampered precise targeting of caspase-

154 exaketide was accommodated within the Pik TE active site; however, intrinsic conformational preferenc

155 r mechanism of cyclization within the enzyme active site; however, there is evidence that conformatio

156 Mo2B4 compensates its smaller density of active sites if compared with highly active bulk MoB2 (w

157 8-269 of securin are located in the separase active site, illuminating the mechanism of inhibition.

158 rect binding of NANOG to a transcriptionally active site in a BNIP3L enhancer sequence.

159 lles and fibers, demonstrating that the heme active site in both morphologies is accessible to small

160 enesis implicate several residues around the active site in catalysis and substrate binding, and supp

161 7) were located in the TIM barrel around the active site in domain A, and two residues (I476 and V482

162 ith a second (-)3TC-TP molecule bound to the active site in the absence of PPi, suggests that nucleot

163 Close inspection of the active site in the closed ternary structure reveals a su

164 iary contacts among the regions close to the active site in the first step of unfolding, i.e., the N-

165 number but also enhance the activity of the active sites in MOR compared with larger ones.

166 ce is due to the activity enhancement of the active sites in MoS2 by the intercalated protons, which

167 sformed into a more active 1T' phase as true active sites in photocatalytic HERs, resulting in a "cat

168 1D carbon structure and the embedded FeNx C active sites in the carbon framework manifest in superio

169 rative interactions between CO2 and multiple active sites in the preorganized anion are the driving f

170 Details of the "active site" in the structure of the GabR effector-bindi

171 -22, Thr-182, and Thr-240) were close to the active site, indicating their possible role in phosphory

172 n by either nutrient starvation or use of an active site inhibitor reduces Skp2 levels and stabilizes

173 troduced to generate highly effective FeNx C active sites into the carbon framework and to induce a h

174 Their active site is a complex cofactor consisting of a unique

175 The GST active site is composed of a GSH binding "G site" and a

176 The basic active site is due to the presence of a remote basic sit

177 ar studies, reveals how access to the enzyme active site is regulated.

178 The critical temperature to form active sites is 800 degrees C, which is associated with

179 ects either that H/D exchange at hydrogenase active sites is rapid compared to the rate of recombinat

180 Given their identical active sites, isoform G-domain differences must be allos

181 tal binding can prevent ROS release from the active site, lessen damage to the protein, and produce h

182 lease fold and formed a homohexamer with the active sites located at the interfaces between RICE1 sub

183 t that conformational equilibrium of the A3B active site loops, skewed toward being closed, controls

184 Mutation of the active-site lysine abolished PtaA activity and affected

185 the active site core, whereas the two other active site lysines from the two other domains are not a

186 protease of the complement system: in silico active site mapping for hot spot identification to guide

187 Our results classify this process as an active-site "maturation", which is highly atypical in be

188 nctional theory geometry optimizations of an active site model reveal that the intermediate is an ary

189 It has a CPWC active-site motif embedded within its thioredoxin fold d

190 set of 434 A-domain sequences, showing that active-site-motif-based algorithms outperform whole-doma

191 Potent active-site mTOR inhibitors engender mitochondrial hyper

192 chanisms for the emergence of completely new active sites must therefore either plausibly exist or at

193 ecificity of MCD toward succinyl-CoA through active-site mutagenesis.

194 of a new screening paradigm that utilizes an active site mutant D134A (D3.32) 5-HT2C receptor to iden

195 accharomyces cerevisiae using DNA polymerase active-site mutants as a "sensitized mutator background.

196 Hsp90 knockdown by siRNA or by Hsp90 active-site mutation also decreased A3G activity.

197 f the MOF to contain a high concentration of active sites necessary for the isomerization reaction.

198 ibition or poisoning of the transition metal active sites necessary for their formation.

199 r ATP stoichiometrically with substrate, the active site nucleotide species in Dop is ADP and inorgan

200 at a once-daily dose of 420 mg achieved BTK active-site occupancy in patients with chronic lymphocyt

201 fol binding pockets were identified near the active site of 5-LOX.

202 Crucially, we find that each active site of a transposase dimer is responsible for tw

203 to the conformation of the inhibitor in the active site of BACE-1.

204 with the conservation of amino acids in the active site of BAM2, suggested that it might be catalyti

205 The relatively polar active site of CYP126A1 distinguishes it from its most c

206 inhibitor side chain and amino acids of the active site of DNA topoisomerase I.

207 ion activity, while similar mutations in the active site of FPPase failed to significantly promote fo

208 ecule inhibitor that covalently binds in the active site of GSTO1-1 can be used to ameliorate the inf

209 we report a dominant mutation in the ATPase active site of human CLPX, p.Gly298Asp, that results in

210 Here, we report a synthetic model of the active site of lactate racemase, which features a pyridi

211 porated at 12 different positions within the active site of N-acetylneuraminic acid lyase (NAL), and

212 Z degrees , an intermediate form of the Cu4S active site of nitrous oxide reductase (N2OR) that is ob

213 esterol) hydroperoxides docked well into the active site of Ohr from Xylella fastidiosa and were effi

214 inolin-2(1H)-one does not bind to the kinase active site of over 380 human kinases including Akt.

215 e of a small molecule bound to the catalytic active site of p300 and demonstrate that A-485 competes

216 e highly conserved -GH- residues in the CGHC active site of PDI, we created PDI variants with a slowe

217 ve investigated the nature of the molybdenum active site of the arsenite oxidase from the Alphaproteo

218 AO to occur, they must first be bound in the active site of the enzyme in their phenolate anion form.

219 an replacing Cys276 by an Ala residue in the active site of the enzyme, as encountered in (Cys276-->A

220 ngineered a weak-binding ligand covering the active site of the protease without addressing the S1' p

221 ation of GSH and a base-off cobalamin in the active site of this enzyme.

222 le binding polar and non-polar region on the active site of tyrosinase.

223 The active sites of A. tridentata FPPase and CPPase are loca

224 The inhibitor blocks the active sites of C1s and MASP-2, as well as the anion-bin

225 n Pro hydroxylation activity which occurs in active sites of polysaccharide deacetylases (PDAs) from

226 The Cu(2+) complex binds to the active sites of SlyD, which suppresses its PPIase and ch

227 ly tuning the spatial environment around the active sites of synthetic catalysts is a difficult chall

228 the proper Ni/Cu ratio and a large number of active sites on the surface of hierarchical structures.

229 , and increasing the number of catalytically active sites per unit volume.

230 mity, also positioning them distant from the active site pocket.

231 the formation of a deep, solvent-accessible, active-site pocket, which may allow recognition of speci

232 This structure not only visualizes the active site poised for catalysis of APOBEC3A, but pinpoi

233 ne-rich domain partially occludes the enzyme active site, preventing unfettered substrate access.

234 A single active site processes both recessed ends and 5'-flap sub

235 terase families according to their catalytic active site, protein oligomerization, and substrate spec

236 motif, conserved in 1-Cys Prxs, precedes the active site PxxxTxxCp signature and might contribute to

237 corroborate kinetically predicted trends in active site reactivity and to reveal unexpected features

238 reochemistry through accumulation of several active site rearrangements that lead to a decreased nucl

239 ctroscopy indicates that the binding induces active site reorganization and uniformity.

240 The lack of an appropriately positioned active site residue as a catalytic base leads us to prop

241 and structure-guided mutagenesis of putative active site residues identified Asn(24) and Asp(39) as b

242 Mutations of active site residues in CPPase to the corresponding amin

243 g of AhAI revealed tighter interactions with active site residues of T. castaneum alpha-amylase compa

244 n this manuscript, we have focused on OleTJE active site residues Phe(79), His(85), and Arg(245) to i

245 A complex hydrogen bond network of four active site residues, which was installed in the late st

246 Sequence comparisons indicated that active-site residues constraining octane for omega-hydro

247 We mutated distinguishing active-site residues to generate enzymes that had a comm

248 6+4] cycloaddition through interactions with active-site residues.

249 e concluded that BeauIII binds to a putative active site responsible for SOAT1 that is located on the

250 y, while these substitutions modulate PON1's active site shape, volume, and loop flexibility, their l

251 ively charged residues, and a portion of the active site shows structural similarity to the GTP-bindi

252 FDPs contain a dinuclear iron active site similar to that in hemerythrin, ribonucleoti

253 ools for the characterization of enzyme- and active site-specific GST activity in mammalian model sys

254 y for omega-hydroxylation is orchestrated by active-site sterics, partially mediated by an unusual he

255 -residue zebrafish P450 17A1 mutant, and the active site still resembled the structure in the other p

256 profound differences between these enzymes' active site structure, beta-lactam specificity and metal

257 the R2H2.CglI complex has only one nuclease active site sufficient to cut one DNA strand suggesting

258 ational differences in loops adjacent to the active site that include the extended loop prior to the

259 Cu-exchanged zeolites possess active sites that are able to cleave the C-H bond of met

260 Although located distant to the active site, the C2 domain greatly enhances catalytic tu

261 -10a, and 10b were binding within the MMP-13 active site, the Zn(2+) chelating unit was replaced with

262 r than sterically blocking 40S translational active sites, the associated assembly factors Tsr1, Enp1

263 Besides discrete active sites, the catalytic activity arising from the co

264 by the structure or electronic properties of active sites, the enhanced oxidation resistance originat

265 ons stabilize H-bonds in the vicinity of the active site, thereby masking subtle dynamic features tha

266 As nominal models of hydrogenase active sites, these bimetallics feature two kinds of act

267 at mediate protein palmitoylation, including active site thioester-linked palmitoyl intermediates.

268 to the catalytic moiety in Kgp and block the active site through an exposed inhibitory loop.

269 entatic state imposed by the protein on the active site through relative orientation of the two moly

270 deactivation process consists of the loss of active sites through the agglomeration and possible dewe

271 t the BoNT/A metalloprotease zinc-containing active site, thus impeding its proteolysis of the endoge

272 optimization of chemical positioning in the active site, thus yielding a approximately 3 order magni

273 d in release (step 4) of cyt c from the HCCS active site; thus, we term these "release mutants."

274 zyme may prearrange the substrate within the active site to accelerate the [4+2] cycloaddition and im

275 What happens inside an enzyme's active site to allow slow and difficult chemical reactio

276 orrect peptide substrate is required for the active site to assume the proper conformation.

277 s dynamic phospho-acceptor T38 at the kinase active site to enable efficient phosphorylation.

278 covalent flavinylation by preorganizing the active site to stabilize the quinone-methide intermediat

279 a dynamic allosteric pathway connecting the active site to the main allosteric site that remains in

280 The redesign of enzyme active sites to alter their function or specificity is a

281 e lipids, which likely helps to position the active site towards its substrate.

282 ism, binding of the primary substrate in the active-site triggers the release of the solvent-derived

283 We also show that an active-site tryptophan, Trp-321, participates in off-pat

284 ytic BamB subunit of this complex harbors an active site tungsten-bis-pyranopterin cofactor with the

285 , together with partial rearrangement of the active site upon activation, explains the lack of inhibi

286 sibility of the active site by expanding the active site volume, allowing additional water molecules

287 To identify active sites, we first predict the CO binding at a large

288 a3 and L3 regions, which flank the di-Zn(II) active site, were selectively (19) F-labeled using 3-bro

289 owed a rearrangement of the substrate in the active-site, when compared to the structure of the binar

290 ring of the cofactor transiently enters the active site where it displaces the pterin ring of the TH

291 rs after the molecule is formed, or that the active sites where D2 oxidation and proton reduction occ

292 omoted production of free OH radicals (on Ni active sites) which facilitate the oxidative removal of

293 the number of low-coordinated catalytically active sites, which dramatically lowers the overpotentia

294 s complement hydrophobic residues around the active site, while the third residue projects away from

295 amidohydrolase superfamily revealed a novel active site with a bound unknown ligand.

296 lytically essential monovalent cation at its active site, yet another parallel with B12 enzymes, and

297 s of the protein scaffold that surrounds the active site, yet the exact nature of catalytically relev

298 n of the acidic ring nitrogen with the CA II active site zinc, as well as two hydrogen bonds between

299 clinical carbapenem resistance, by removing active site zinc.

300 of CSN5 inhibitors, which interact with the active-site zinc ion of CSN5 through an unprecedented bi