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1 fectiveness of the binding of the developing oxyanion.
2 ize a second water for protonation of the 3'-oxyanion.
3 stress undergone by cells exposed to either oxyanion.
4 s of Ca bound directly and indirectly to the oxyanion.
5 tographic separation methods convert them to oxyanions.
6 ples was a mixture of elemental Se(0) and Se oxyanions.
7 on of the cells from the inhibition by these oxyanions.
8 the diamagnetic anisotropy of these trigonal oxyanions.
9 and down-gradient wells have little or no Se oxyanions.
10 h we interpret as incomplete reduction of Se oxyanions.
11 model SRM, we screened a panel of inorganic oxyanions.
15 supporting a role for N85 in stabilizing the oxyanion and in coordinating, along with S138, the attac
16 tial position of the nascent peptide and the oxyanion and places the amine near the critical A76 2'-O
17 ving neighboring group participation by a C2-oxyanion and rate-limiting formation of a 1,2-anhydro su
18 repulsion between bound P(i) and the Ser102 oxyanion and the binding of P(i) in its trianionic form
20 ppeared to derive from both desorption of Se oxyanions and oxidative dissolution of elemental Se(0).
21 tion of the pyridine nitrogen, the phenoxide oxyanion, and the carboxylate anion of the 1-glycine imi
22 t electrostatic stabilization of the enolate oxyanion, and the nonpolar side chains of P166, I170, an
23 er contaminants (i.e., halogenated organics, oxyanions, and nitrosamines), and identifies key researc
24 d toward the oxygen lone pairs on a trigonal oxyanion are stronger than hydrogen bonds to the pi-elec
25 ventionally, the isotopes of these and other oxyanions are measured by isotope-ratio sector mass spec
28 However, the WPD-loop in the presence of oxyanions assumes a half-closed conformation, in contras
31 These structures also show that tetrahedral oxyanions bind at a novel secondary site and function to
32 Active site substitutions, including at the oxyanion binding site, enable the production of substitu
34 )H NMR titration experiments, which show the oxyanion binding trend HCO3(-) > H2PO4(-) > HSO4(-), whe
39 ifying the problems associated with modeling oxyanions by means of two fixed water molecules (or rela
42 a stable analogue of the shared family alpha-oxyanion carboxylate intermediate/transition state) and
43 adenosine 3',5'-diphosphate and the original oxyanion.) Chlorate and perchlorate form dead-end E.MgAT
44 ely measured the concentration of metals and oxyanions (CMBL/CSol = 0.85-1.12) over 4 days, with the
45 ion model for NOM (NOM-CD), the pH-dependent oxyanion competition of the organo-mineral oxide fractio
48 large oxyanion:Fe solids ratio, depletes the oxyanion concentration with only small amounts of Fe.
51 sopropyl fluorophosphonate, which mimics the oxyanion-containing tetrahedral intermediate of the hydr
52 waste storage, this work explores how mixed oxyanion contaminants compete for ettringite incorporati
57 of ROS produced in vivo upon exposure to the oxyanion, e.g. by generating FMNH(2) to fuel ROS-quenchi
62 f Fe(II) oxidation and, because of its large oxyanion:Fe solids ratio, depletes the oxyanion concentr
63 t chromium Cr(VI), typically existing as the oxyanion form of CrO4(2-), is being considered for more
65 ific 2'-O-MTase VP39 does not promote RNA 2'-oxyanion formation but that instead it acts by steering
66 lytic residues at the enediolate O-1 and O-2 oxyanions formed on deprotonation of GAP and DHAP, respe
67 s suggests that there was no upwelling of Se oxyanions from an oxic deep-ocean reservoir, which is co
70 n-state binding studies of the receptor with oxyanions have also been carried out by (1)H NMR titrati
71 rimary specificity pocket (Asp-189), and the oxyanion hole (Gly-193) hold most of the favorable contr
72 ant features of the active site including an oxyanion hole and a polar binding pocket that interacts
73 a with the pyridine and alcohol to act as an oxyanion hole and activate the bound acyl-spiroligozyme
74 The work also offers a detailed view of the oxyanion hole and an exceptional "in-action" depiction o
75 ement that places the scissile amide into an oxyanion hole and forces the nucleophilic residue into a
76 with its carbonyl oxygen pointing out of the oxyanion hole and forming hydrogen bonds with Lys-234 an
77 cement of the main chain atoms that form the oxyanion hole and movement of the lid loop region when t
78 of the acyl-enzyme complex was located in an oxyanion hole and positioned to hydrogen bond with the b
79 st proposed by Huber and Bode, organizes the oxyanion hole and primary specificity pocket for substra
80 ocated between the 190 strand leading to the oxyanion hole and the 220-loop that contributes to the a
82 in SHV-1: one with the acyl CO group in the oxyanion hole and the second with the acyl group rotated
83 phenolate can rotate freely relative to the oxyanion hole and thus loses the preorganization contrib
84 to the active site via polar contacts to the oxyanion hole and to residues 268 and 301 as well as by
85 features: the nonprime binding cleft and the oxyanion hole are stabilized, and the effect propagates
86 -phase calculations with a fixed model of an oxyanion hole are sufficient for assessing the correspon
87 ed to the structures for the E166A form, the oxyanion hole becomes smaller, providing one explanation
88 me is that the inhibitor is not bound to the oxyanion hole but interacts extensively with the "roof"
89 ide nitrogens of Asp224 and Thr223 create an oxyanion hole by hydrogen bonding to the terminal amide
90 al substrate facilitates construction of the oxyanion hole by stabilizing the position of the active
94 ls in the boronyl center (O2) is held by the oxyanion hole comprising the amides of Ser-44 and His-21
95 s of cinchona alkaloid catalysts involves an oxyanion hole consisting of purely C-H functionality.
96 timate that the H-bonding interaction in the oxyanion hole contributes a stabilization of the ground
97 bstituted Tyr residues suggests that the KSI oxyanion hole does not provide catalysis by forming an e
98 on of the beta3 strand necessary to form the oxyanion hole for acylation and also traps ceftriaxone i
99 backbone amide group of Gly 159 provides an oxyanion hole for stabilization of the tetrahedral trans
100 ubstrate and not the TF binding that induces oxyanion hole formation and functional active site geome
101 splacement, d-Phe-Pro-Arg incorporation, and oxyanion hole formation by a flip of the 192-193 peptide
102 The transition state is stabilized by an oxyanion hole formed by the backbone amides of Ala102 an
104 vidence against catalytic proposals invoking oxyanion hole geometric discrimination between the groun
105 structural consequences of substituting the oxyanion hole hydrogen bond donors and several residues
106 ase (KSI) reported that substitution of both oxyanion hole hydrogen bond donors gives a 10(5)- to 10(
107 eemingly conservative mutations replaced the oxyanion hole hydrogen bond donors with hydrophobic side
108 e complex structure, which has only a single oxyanion hole hydrogen bond, is proposed to give rise to
109 sin-like proteases and the importance of the oxyanion hole in protease function suggest that this mec
110 (224) and the side chain of Arg(233) form an oxyanion hole in sortase B that stabilizes high energy t
111 butions of each protonation state showed the oxyanion hole in the active site of wild-type Delta(5)-3
113 owed that the carboxylate group occupies the oxyanion hole in the enzyme, while the sulfonamide provi
115 ing the catalysis and that the electrostatic oxyanion hole interactions may not be sufficient to lead
116 n suggest that the sorting signal-stabilized oxyanion hole is a universal feature of enzymes within t
118 m its position in the active E form, and the oxyanion hole is disrupted by a flip of the Glu(192)-Gly
121 e-emphasize the point that the effect of the oxyanion hole is mainly due to the fact that the relevan
123 ecular modeling suggests that an alternative oxyanion hole may have been recruited, consisting of the
124 (8)-fold rate reduction, suggesting that the oxyanion hole may provide the major contribution to KSI
125 roduct analog bound to ketosteroid isomerase oxyanion hole mutants and concluded that the active-site
126 ycles revealed similar contributions from an oxyanion hole mutation in the wild-type and base-rescued
128 and the presence of a water molecule in the oxyanion hole of AVCPDelta2 (AVCP with a deletion of the
130 oxygen of (-)-cocaine benzoyl ester and the oxyanion hole of BChE in the TS1 structure for (-)-cocai
132 nion intermediate is stabilized by an enzyme oxyanion hole provided by Lys104 and Tyr158 of SpvC.
133 ts carbonyl oxygen positioned outside of the oxyanion hole provides a rationale for the stability of
134 ydrogen bond energetics and suggest that the oxyanion hole provides an important, but moderate, catal
135 d by the amide O of Gln19-a component of the oxyanion hole that binds the tetrahedral species formed
136 catalytically relevant water molecule and an oxyanion hole that both orients the substrate and offset
137 tive site catalytic residues and surrounding oxyanion hole that covalently binds the core of the alph
138 ackbone amides (Ile126 and Gly127) create an oxyanion hole that helps orient the formyl group for nuc
139 A water molecule now moves into the putative oxyanion hole that is constituted of a main-chain amide
140 ly, has no effect on the architecture of the oxyanion hole that remains intact through a new H-bond e
141 an, asparagine, and tyrosine residues in the oxyanion hole that stabilizes the transition state for e
142 teraction of the inhibitor with the proposed oxyanion hole through interaction with a helix dipole an
143 11 side-chain alcohol hydrogen away from the oxyanion hole to hydrogen bond with the backbone carbony
144 -268 were identified as participating at the oxyanion hole to stabilize the tetrahedral species in th
146 (F-Tyr's) in the ketosteroid isomerase (KSI) oxyanion hole to systematically vary the proton affinity
148 donors and several residues surrounding the oxyanion hole with smaller residues in an attempt to cre
151 lar, the Zn(1) ion is likely to serve as an "oxyanion hole" in stabilizing the carbonyl oxygen, while
153 hydrogen bonding from the amide backbone of 'oxyanion hole' residues, consistent with formation of a
154 on intermolecular hydrogen bonding (with an oxyanion hole), which is crucial for the transition stat
155 on of FVIIa active site in the region of the oxyanion hole, a "flipped" Lys192-Gly193 peptide bond.
156 tion by these compounds does not involve the oxyanion hole, an unprecedented departure from known and
157 te, twisting of the beta3 strand to form the oxyanion hole, and rolling of the beta3-beta4 loop towar
159 nformational changes in the active site, the oxyanion hole, and the substrate specificity pocket resi
160 vicinity may stabilize the S1 pocket and the oxyanion hole, and they may have general implications fo
161 ine proteases, comprising a catalytic triad, oxyanion hole, and typical secondary structural elements
162 yanion hole; and Asp-9, which stabilizes the oxyanion hole, are among the most highly conserved resid
164 n of the S1 substrate binding pocket and the oxyanion hole, evident by an increased affinity for p-am
165 rized three histidine substitutions near the oxyanion hole, G57H, L58H, and M162H, which significantl
166 characterization: three corresponded to the oxyanion hole, hydrolase motif, and catalytic aspartate
167 that introducing a positive charge near the oxyanion hole, W197I/C60R or W197I/C60K, results in a fu
168 nt Cys408 is triply oxidized and lies in the oxyanion hole, which would block the binding of substrat
169 by X-ray with the acyl carbonyl outside the oxyanion hole, while the Delta (2) species corresponds t
170 etry and determines the rotamer state of the oxyanion hole-forming Asn295, and thus adds a second lev
198 -74, and Arg-75 in exosite I; Gly-193 in the oxyanion hole; and Asp-221 and Asp-222 in the Na+ site.
199 lytic dyad; Arg-17 and Ser-56, which form an oxyanion hole; and Asp-9, which stabilizes the oxyanion
201 ral base in thiolases and replaced a pair of oxyanion-hole histidine residues with Tyr-246 and Tyr-34
204 tic dyads and triads are usually paired with oxyanion holes for substrate activation, but it is diffi
205 und much higher success rates using designed oxyanion holes formed by backbone NH groups rather than
206 Small-molecule transition state analogues of oxyanion holes have been characterized by computations,
208 Typical functionalities found in enzyme oxyanion holes or chemically designed oxyanion-hole mimi
211 e electron equivalents required to reduce Te oxyanions; however, the reduction rates were modestly in
212 receptor's crown ether ring and the trigonal oxyanion hydrogen bonded to the receptor NH residues.
213 dox transitions, possess a high affinity for oxyanions (i.e., arsenate and chromate) and suggests tha
214 resting enzyme and to the inhibitor-derived oxyanion in a chloromethyl ketone complex, observations
215 mical behavior of this toxic redox-sensitive oxyanion in anoxic environments is poorly constrained.
216 ophile, moving more than 2 A and placing the oxyanion in contact with Gln19 and the backbone amide of
217 ead to suboptimal solvation of the incipient oxyanion in the mutants, thereby potentially exaggeratin
220 igher accuracy of Metsorb for measuring some oxyanions in freshwater and seawater, and the possibilit
223 asured the concentration of trace metals and oxyanions in synthetic freshwater (CMBL/CSol = 0.82-1.18
224 observed by both direct quantification of Se oxyanions in the leachate and the corresponding loss of
226 gh concentrations of molybdate and tungstate oxyanions inhibit growth, thus requiring the tight regul
227 ermodynamically favored than maintaining the oxyanion intermediate necessary for catalysis to proceed
228 o receive the hydride, disassociation of the oxyanion intermediate to form the dead-end adduct is mor
231 crucial for the stabilization of high-energy oxyanion intermediates or transition states through hydr
232 e followed by fragmentation of the resulting oxyanion into the carboxylic acid and a benzyl anion.
233 In all solid-state structures, the trigonal oxyanion is not located symmetrically inside the recepto
235 The crystal structure confirms that the oxyanion is stabilized by the main chain amide of Ser-20
238 nvolving pre-equilibrium dissociation of the oxyanion ligand (RO(-)) followed by nucleophilic attack
239 the helix 6 interaction with the active site oxyanion loop is therefore used in two independent regul
240 nserved interaction network that upholds the oxyanion loop, leading to a partial collapse of the cons
242 ystem had the highest water content and that oxyanions may bridge iron(III) hydroxide polymeric embry
246 osed role of H84 is as a proton donor to the oxyanion of the quinoid species such that subsequent C-H
248 effects reported suggests that these simple oxyanions of nitrogen have a much richer profile of biol
249 he determination of biospherically important oxyanions of selenium (Se) and tellurium and another Se-
250 strial strategies to chemically reduce these oxyanions often require the use of harsh conditions, but
252 is no general tool that can analyze several oxyanions or all the chemical elements they contain.
253 s oxic conditions with lower availability of oxyanions or increased bioproductivity along continental
254 s secondary mineral phases, which allows for oxyanion partitioning, e.g., IO(3)(-) incorporation into
255 tion of acetic acid, most likely through the oxyanion produced by nucleophilic attack at the carbonyl
258 ected mutagenesis, and energetic analyses of oxyanion recognition by the P-loop in the ATP/ADP bindin
259 y in the pure form compared to that of other oxyanion reductases, such as the membrane-bound and peri
261 ase in the order fluoroanions > carboranes > oxyanions, reflecting the relative basicities of the ani
262 rmed in the presence of bivalent cations and oxyanions represent important components of the global F
264 e formation mechanisms and structures of the oxyanion-rich Fe(III) polymers determined in this study
265 growth medium and amended with the selenium oxyanion selenate, selenite, or selenocyanate, produces
266 e efficient method, the predominant selenium oxyanions, selenite (Se(IV)) and selenate (Se(VI)), can
269 used to capture TcO4(-) and closely related oxyanions so far and discuss the possibility of using me
271 istent with the catalytic antibody providing oxyanion stabilization as its major contribution to cata
272 se for UDP-glucose alcohol oxidation and for oxyanion stabilization during formation and breakdown of
274 ched to the catalytic serine alone, with the oxyanion stabilized by unusual tripartite interactions w
275 operatively organized the catalytic base and oxyanion stabilizer, thus perfecting transition-state st
276 identified that enable high selectivity: an oxyanion-steering mechanism and a CH-pi interaction.
277 plications for the flux of As and also other oxyanions, such as phosphate, across the groundwater-lak
278 effects of pyrite grains and three types of oxyanions-sulfate, phosphate, and arsenate-on the retent
280 aqueous streams containing soluble tellurium oxyanions, tellurate (Te(VI)), and tellurite (Te(IV)).
284 These simulations revealed formation of the oxyanion thiohemiacetal intermediate only when the nicot
285 able to biocatalyze the reduction of both Te oxyanions to produce Te(0) nanoparticles (NPs) in sulfur
287 ically repels the product phosphate, another oxyanion, tungstate, binds more strongly in the presence
290 urce, these Fe(III) polymers, which dominate oxyanion uptake, form with little dependence on the init
291 trace metal (Mn, Co, Ni, Cu, Cd, and Pb) and oxyanion (V, As, Mo, Sb, W, and P) concentrations in fre
292 AP active site is known to stabilize another oxyanion, vanadate, in trigonal bipyramidal geometry, bu
293 pivotal role for stabilizing the developing oxyanion, via C-H...O hydrogen bonds, in our newly propo
296 ltispecies biofilms biotransforming selenium oxyanions were characterized using X-ray fluorescence im
297 ral solutions containing mixtures of arsenic oxyanions with dissolved sulfide and solutions derived f
300 es such as basaluminite for As(V) and Se(VI) oxyanions, with adsorption capacities on the same order