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1 ities, with numerous conformational isomers (substates).
2 econdary elements and adopt 1 conformational substate.
3 dence of a transient intermediate structural substate.
4 es C to attain a more dynamic conformational substate.
5 of intracellular viral DNA as the packaging substate.
6 with experiments for the largest conducting substate.
7 the only possible pathway involves the first substate.
8 icient to precisely fit the data within each substate.
9 structure of the RNA portion of the helicase substate.
10 ) that favors residency in a low-conductance substate.
11 ture for SERCA in the E2 (Ca-free) enzymatic substate.
12 ime at +/-40 mV, and absence of a long-lived substate.
13 emporal dynamics specific to each identified substate.
14 d lead to remodeling of their conformational substates.
15 through an enormous number of conformational substates.
16 >10 s) exhibit fluctuations between numerous substates.
17 ion bands corresponding to the A(1) and A(3) substates.
18 neous pathways connecting diffuse mesoscopic substates.
19 more excursions to functionally incompetent substates.
20 and mainly occupy a small number of helical substates.
21 transitions between different conformational substates.
22 K state, and, most importantly, 4 discrete L substates.
23 hing between the SSEA3 positive and negative substates.
24 ional knowledge of accessible conformational substates.
25 in states are not unique but consist of many substates.
26 hich allow the dangling base to sample these substates.
27 o well defined conductance states, and other substates.
28 roteins can exist in multiple conformational substates.
29 mpounds II exist as two major conformational substates.
30 ment or by thermally sampling conformational substates.
31 multiple TST-bound P450(eryF) conformational substates.
32 factor exchange occurs through these excited substates.
33 which are assignable to different taxonomic substates.
34 and the structure of trapped conformational substates.
35 at "trap" them in nonstandard conformational substates.
36 allows visualization of distinct sleep/wake substates.
37 predominantly exhibit transitions to various substates.
38 howing increased transitioning to long-lived substates.
39 ct on the amplitudes of the neomycin-induced substates.
40 nformational interconversions from BI to BII substates.
41 open state, then a series of transitions to substates.
42 and calculated dephasing dynamics for these substates.
43 ural assignments for the MbCO conformational substates.
44 activity exhibiting full, 3/4, 1/2, and 1/4 substates.
45 on the redistributions of the conformational substates.
46 fects the distribution of the conformational substates.
47 ignal of Mo reveals that it has at least two substates.
48 ution were differentially modulated by sleep substates.
49 nergy barriers between native conformational substates.
50 inhomogeneous distribution of conformational substates.
51 ited voltage-dependent closure with multiple substates.
52 y crystal structures exist as conformational substates.
53 late between several distinct conformational substates.
54 selves precisely in transient conformational substates.
55 h protein state is split into conformational substates.
56 onformations for the E1 (Ca-bound) enzymatic substates.
57 's experimentally established conformational substates.
58 suggesting a complex landscape of states and substates.
59 pends on the exchange between conformational substates.
60 sequential molecular steps or conformational substates.
61 can assume a large number of conformational substates.
62 three distinguishable, time-resolvable open substates.
63 es provide insight into the structure of the substates.
64 s spectra were decomposed into the taxonomic substates A(0), A(1), and A(3), previously introduced in
68 rared lines by about 2 cm(-1), so that the A substates actually appear in pairs, such as A(0) and A(0
69 suggests greater sampling of conformational substates, affecting the full length of helix B and beta
71 crystallographic evidence for conformational substates along the trajectory towards the catalytically
72 t modes: 1) a fast block consisting of brief substate and closed events with a mean duration of appro
73 xperimental identification of conformational substates and characterization of conformational equilib
74 l clustering to learn energetically coherent substates and dynamic modes of motion from a 0.5 mus ubi
75 ase and occurrence of various conformational substates and its impact on studies of context effects.
77 t oxyhemes exist in two major conformational substates and that this is true for both alphaO(2) and b
78 reveal the rates of interconversion between substates and the corresponding relative populations.
80 of the relative abundance of each state and substate, and the ensemble average free energy of the tr
81 ifts, comparison to a crystal structure of a substate, and through designed ensemble redistribution v
82 etween the closed state and a low-conducting substate, and validates both the use of the integral cur
83 tifying single channel conductance of 11 pS, substates, and an approximately 3:1 Na(+)/K(+) permeabil
84 ically switch between metastable conductance substates, and display characteristic macromolecule-indu
85 mational substates of the protein, and a new substate appearing upon membrane binding could be uncove
86 e C2'-endo conformation the first and second substates are able to persist for different time spans,
87 and possible transitional pathways among the substates are also examined using the conformational sta
88 vibrational echo line shapes for both of the substates are analyzed using the center line slope (CLS)
92 ve energy barriers separating conformational substates are not significantly influenced by pressure.
93 e Doze/Wake probabilities and the sleep/wake substates are tied to specific biological processes.
94 n, corresponding to different conformational substates, are reported here with reference to the confo
95 directly revealing the presence of multiple substates as distinguishable components in the EPR spect
96 modification decreased the number of channel substates as the diameter of the current carrier increas
97 d distributions of long-range conformational substates (as probed by time-resolved fluorescence reson
99 gions of htADH are in a rigid conformational substate at reduced temperatures with limited cooperativ
100 tch of the energetically most favorable open substate at the lowest examined temperature of 4 degrees
104 This concerns both the ratio of the B-DNA substates B(I) and B(II) associated with the backbone di
106 , a mammalian decoding complex visualized in substates before and after codon recognition reveals str
107 sly been shown to induce a voltage-dependent substate block in the cardiac isoform of the ryanodine r
108 ue to the presence of protein conformational substates but rather is an inherent property of the solv
109 erum albumin, do not close the H+-conducting substate, but it closes spontaneously when respiration b
110 not only inverts the equilibrium between the substates, but also causes large, parallel reductions in
111 y has provided insight into SERCA structural substates, but it is not known how well these static sna
115 lude that rivalry and fusion are multistable substates capable of direct competition, rather than sep
117 ensembles of interconverting conformational substates channel the enzyme through its catalytic cycle
118 g is accomplished by pulling the vinylallene substate closer to the metal and, as a result, the trans
120 nnel with two or more wt subunits showed one substate conductance at approximately 40% of the full co
127 us different conformations or conformational substates, described by an energy landscape, is now acce
130 cL has conductance, pressure dependence, and substate distribution similar to those of the recombinan
131 tein environments in the context of distinct substate distributions, with concomitant changes to the
132 itated by explicitly sampling conformational substates during design and specifically stabilizing pro
133 is technology allows us to identify cortical substates during quiet and active wakefulness, and trans
134 a brain state as an ensemble of "metastable substates," each with a probabilistic stability and occu
135 ional knowledge of accessible conformational substates, ensemble-simulation-based protocols have been
137 ermini in functional variants for all tested substates fall within the same four distinct loop/lid re
138 nce Raman data for reduced H175G/Im show two substates for heme-coordinated Im differing in the stren
141 s shows that there are at least two distinct substates for the native adrenergic membrane receptor.
142 ed during the formation of the late M (M(N)) substate formed by three-dimensional crystals of the D96
143 cteriorhodopsin crystals, confirm that the M-substate formed represents a structure that occurs early
144 s were identical within error for the two CO substate frequencies, T1delta(B1) = 335 +/- 115 ps and T
146 sample catalytically relevant conformational substates has been invoked to model kinetic and spectros
148 of dynamic interconversion between distinct substates; however, the regulatory circuits specifying t
149 in ends and exist in multiple conformational substates, i.e., they move on multiple-minima free-energ
150 cally enhance the sampling of conformational substates in duplex DNA during molecular dynamics (MD) s
151 n solution reveals additional conformational substates in equilibrium exchange with a WT-like populat
152 balance between active and inactive receptor substates in favor of the active state, agonist-induced
155 It is likely that the A and B conformational substates in the alphaO(2) and betaO(2) subunits differ
157 s in the population of nucleic acid backbone substates in the case of 7,8-dihydro-8oxo-guanosine comp
158 er of hierarchically arranged conformational substates in the crystalline environment and may sample
159 erentially sampled particular conformational substates in the denatured state, pairwise Calpha root-m
161 he protein to access only its conformational substates in the neighborhood of the preburn state, any
162 rogressive depletion of distinct microscopic substates in the order of their increasing activation ba
169 ressibility (Deltabeta(T)) of conformational substates in two-component equilibria from the pressure
170 sence of ligand binding suggest that the new substates induced by the cavity-creating mutations repre
171 tion and access, but direct evidence of such substate interconversion has thus far remained elusive.
172 ation step at the heme is fastest for the A0 substate, intermediate for the A1 substate, and slowest
176 al of the native state and of each denatured substate is calculated as a function of the concentratio
177 l exchange and characterizing conformational substates is essential for elucidating mechanisms of fun
179 When the free energy difference between substates is estimated from the EPR spectra, the crystal
180 , an ensemble of pH-dependent conformational substates is observed, even at pH 6.0 where the MIIbH(+)
181 s the visual response--rather an ensemble of substates is present, due to the entropy gain produced b
184 h energy barrier found between the two major substates leads to transitions that are slow on the time
187 active state may occur through promotion of substates mediated by an allosteric switch mechanism tha
188 ace protein is represented as an ensemble of substates modeled by random coils having the same contou
189 e test the reliability and robustness of the substate number determination by investigating the appli
190 s (<1 ms) between the fully open state and a substate of approximately 75 pS and slow transitions (>5
191 rmational switching between two well defined substates of a myoglobin mutant is observed on the appro
192 We recently reported distinct conformational substates of Ca(2+)-CaM-DA and apoCaM-DA, with peaks in
193 es values for the Fe-C-N angles in the three substates of ca. 123 degrees (C3) and 133 degrees (C2),
194 ransfer measurements revealed conformational substates of CaM, and single-molecule polarization modul
196 multiple nearly isoenergetic conformational substates of enzymes with similar but distinct catalytic
197 to characterize higher energy conformational substates of Escherichia coli dihydrofolate reductase.
198 ave failed to sample transitions between the substates of fasciculin and calmodulin, GNEIMO simulatio
199 which determining the diverse conformational substates of IDPs in their free states, in encounter com
201 e spectroscopic A(1) and A(3) conformational substates of MbCO, respectively, based on the agreement
203 s of the 13C hyperfine tensors for the three substates of the 2Fe-SOR within a simple heuristic model
205 e presence of previously unseen intermediate substates of the bacterial ribosome during the first pha
206 spectrometry to dissect five conformational substates of the complex, including one in which the VPS
209 ion) affects only a subset of conformational substates of the Fe-M80 interface, probed by the 695 nm
211 ling to structurally unravel interconverting substates of the human proline isomerase, cyclophilin A
212 quilibria between spectroscopically resolved substates of the lipidated signaling protein N-Ras.
213 ibrium protein dynamics for the two distinct substates of the Mb double mutant are investigated by us
214 f transitions between various conformational substates of the native basin of globular proteins.
216 that the number of accessible conformational substates of the protein increases upon 2',5'-ADP bindin
217 nal dynamics and selection of conformational substates of the protein, and a new substate appearing u
220 artners by exchanging between conformational substates on a wide range of spatiotemporal scales.
222 of our study indicate that discrete basins (substates) on a potential energy landscape of the enzyme
225 common A-, B- and Z-forms and their various substates, plus five secondary clusters for kinked or be
226 A significant change in the conformational substate population is observed for the D251N oxy-P450ca
228 s and that the glycol-induced changes in the substate populations of the R-state HbO(2) tetramer are
229 ing one of the previously identified helical substates present in the prerecognition ensemble in a no
231 omain interaction model for the mechanism of substate production by Kunitz inhibitors based on curren
234 roperties of PC2 and whether the conductance substates represent monomeric contributions to the chann
236 ductances (i.e. 43% of pA-modified s1 and s2 substates), revealing a proportional gating mechanism.
237 lying the large effect of the conformational substate reveals the importance of coupling between prot
238 of the mixture of L's showed that 3 of these substates revert to bR(568) and that only the 1 substate
240 aphy can provide snapshots of conformational substates sampled during enzymatic reactions, while NMR
241 (1)H ENDOR spectroscopy of the cryogenerated substates shows that H-bonding interactions between His
246 nformational equilibrium between one protein substate that binds the effector and a second substate t
247 on of Ca2+ in a distinct membrane-associated substate that is not readily releasable by opened InsP3-
249 and FiP35 WW domain detects multiple native substates that are consistent with experimental data.
250 ence that proteins sample the conformational substates that are important for function in the absence
251 description of the alternate conformational substates that are sampled through picosecond to nanosec
252 he interconversion of protein conformational substates that are slower and more global than the local
254 ing site, where aprepitant occupies multiple substates that exchange with frequencies in the millisec
255 Ca(2+), leading to stabilization of certain substates that favor interactions with other target prot
258 istant from the CO ligand, while in the A(3) substate, the N(epsilon)-H of His64 is oriented toward t
260 constants of partially folded conformational substates; the rate constants differ for each residue an
262 s thermal switching between force-generating substates through changes in the configurational space o
264 the apparent conductance of the BPTI-induced substate to 0% (K15G), 10% (K15F), 30% (K15 wild-type),
269 identify a theta-dominated wakefulness (TDW) substate underlying motivated behaviors and typically pr
271 e specific activity of caspase-12 with these substates was several orders of magnitude lower than cas
272 s and center distances of the conformational substates were detected with variation in solution condi
275 cs, and dynamics of accessible higher energy substates where the nicotinamide ring transiently occupi
276 lock the enzyme into a single conformational substate, whereas weak binding low affinity ligands bind
279 ely dynamic, adopting diverse conformational substates, which enables them to modulate their interact
280 proteins is characterized by a hierarchy of substates, which give rise to conformational heterogenei
281 ts a strengthening of the Fe-M80 bond in all substates, which probably destabilizes the oxidized stat
282 ing on backbone sampling within Ramachandran substates, while a slower component (5-25 ns) reports on
284 rently in equilibrium between conformational substates whose populations are modulated by activation.
285 ible to understand for which sequences these substates will arise, and what impact they will have on
287 states revert to bR(568) and that only the 1 substate with both the strongest counterion and a fully
288 lectively stabilizes a single conformational substate with largely helical CL3, as it is found in cry
289 termediates probably consist of ensembles of substates with a common core of native-like secondary st
290 ur within four broad tiers of conformational substates with average apparent Arrhenius activation ent
291 lled because Mb exists in distinct taxonomic substates with different catalytic properties and connec
292 which fluctuate into discrete conformational substates with different kinetic and thermodynamic param
293 unctionally productive state via a series of substates with incremental changes in conformation.
295 to be difficult, as judged by the multiple L substates, with weaker counterion interactions, that are
298 SPRNT revealed the presence of two distinct substates within the Hel308 ATP hydrolysis cycle, one [A
299 of the 80 degrees and 40 degrees rotational substates, without any prior information about such stat
300 proteins often fluctuate among various open substates, yet the nature of these transitions is not fu