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1 e ABL001 (asciminib), a potent and selective allosteric ABL1 inhibitor that is undergoing clinical de
2 t the agonist-antagonist site and perhaps an allosteric action for heteromeric nAChRs.
3 the S-loop is critical for cofactor binding, allosteric activation and oligomerization.
4 our study provides a compelling and unifying allosteric activation mechanism in STKR1 kinases that re
5                                              Allosteric activation of DAT via the Zn(2+)-binding site
6 s Asp residue in nSMase2 disrupts catalysis, allosteric activation, stimulation by phosphatidylserine
7 G binds TDG on Arg275 providing an enzymatic allosteric activation.
8      We developed MK-8722, a potent, direct, allosteric activator of all 12 mammalian AMPK complexes.
9                                   pppGpp, an allosteric activator of the enzyme, counteracts the effe
10 identify 3-(2-thienyl)-L-alanine (TIH) as an allosteric activator of this enzyme.
11 hich serves as both a membrane anchor and an allosteric activator.
12 que specificity-enhancing factor, and potent allosteric activator.
13 mation of homotetramers, promoted by anionic allosteric activators such as inorganic phosphate.
14 how that AMP and G6P work synergistically as allosteric activators.
15 en the possibility that direct activation by allosteric agonism, rather than allosteric modulation, c
16 ere conducted using PAMs that also exhibited allosteric agonist activity, leaving open the possibilit
17 actions between the transmitter GABA and the allosteric agonists propofol, pentobarbital, or alfaxalo
18 ite, (ii) G-protein interactions at distinct allosteric and cognate sites on the GPCR, and (iii) asym
19 systematically obtain large datasets of both allosteric and competitive ligands.
20 ains 70,219 and 9,511 unique ligands for the allosteric and competitive sets, respectively.
21 es, however, indicate multiple, interacting (allosteric), and co-existent, exo- and endofacial GLUT1
22 e, using a silent allosteric modulator as an allosteric antagonist, that BMS-986187 and BMS-986122 bi
23 ceptor subtypes, and is thought to act as an allosteric antagonist.
24 information has precluded elucidation of the allosteric basis for the decreased DNA affinity in RcnR'
25  mutation is sufficient to change the global allosteric behavior of the dimer even when one subunit w
26                     Furthermore, we show how allosteric binders may overcome the beta-catenin side ef
27 the third extracellular loop are involved in allosteric binding of NMS.
28 tudy provides first insights into a proposed allosteric binding pocket in BGT1, which accommodates th
29 mise binding of phosphorylated Thr-348 to an allosteric binding pocket on the kinase domain.
30 osteric site in BGT1 that corresponds to the allosteric binding pocket revealed by the hSERT crystal
31 nt-based screening approach, we uncovered an allosteric binding site located near the beta8-beta9 loo
32                                          The allosteric binding site of NMS overlaps with the binding
33 -loop, and anion-binding exosite 1, the main allosteric binding site, retain mus-ms motions.
34 expands our understanding of the topology of allosteric binding sites in AChBP and, by extrapolation,
35                These include the presence of allosteric binding sites on the receptor that can be exp
36 le binding sites may provide a new source of allosteric binding sites that could be exploited in the
37  it remains a challenge to identify suitable allosteric binding sites.
38 d discuss their potential as a new source of allosteric binding sites.
39 scarinic acetylcholine receptors, suggesting allosteric binding.
40 ts with D590 and Q633 to establish a pivotal allosteric branching point.
41 n with computational modeling, identified an allosteric BTB-1-binding site near loop5, where it block
42  do not represent the primary trigger of the allosteric cascade.
43  harmonic generation observations and reveal allosteric changes in the G receptor binding and F-activ
44 o hIRE1alpha LD's MHC-like groove and induce allosteric changes that lead to its oligomerization.
45 netics, which we faithfully reproduced by an allosteric channel gating scheme where the channel is ab
46 ties, which were faithfully reproduced by an allosteric channel gating scheme.
47                           Mutations in these allosteric clusters altered phosphatase activity with ch
48                    In PTP1B and VHR, two new allosteric clusters were identified in each enzyme.
49 t Arabidopsis thaliana mutants for the three allosteric committed enzymes in the biosynthetic network
50        This crucial Hsp70 function relies on allosteric communication between two well-structured dom
51 ulation approaches, the structure reveals an allosteric communication pathway that connects the dista
52 m (Dd) is proposed to be a key residue in an allosteric communication pathway that mediates actin-nuc
53 s not conform to the commonly held view that allosteric communication pathways generally originate at
54 hism towards inactivation through long-range allosteric communication within the structural ensemble
55 , we introduced a community-hopping model of allosteric communication.
56       Assessing the physical connections and allosteric communications in multi-domain nuclear recept
57  a mechanism for fine tuning the efficacy of allosteric compounds in future drug design efforts.
58                Those studies have found that allosteric compounds tend to be smaller, more rigid, mor
59 ore hydrophobic, and more drug-like than non-allosteric compounds.
60 d flexibility in distal loops in response to allosteric conformational changes.
61  the C-terminal pilin domain exerts negative allosteric control over binding of the N-terminal lectin
62         These results capture the essence of allosteric control, revealing how Ca(2+) prevents bindin
63 nto cooperative aggregation, intermolecular (allosteric) cooperativity, intramolecular (chelate) coop
64                This mechanism leads to tight allosteric coupling between gates, preventing them from
65  chemical shift changes provides evidence of allosteric coupling between the direct binding site and
66 ticular, we identify a prominent role in the allosteric coupling for the Na(+)-coordinating residue D
67 ower GTP hydrolysis or a different degree of allosteric coupling in the lattice.
68  designed to disrupt millisecond motions and allosteric coupling to identify regions that are critica
69 ibing ion channel gating through the lens of allosteric coupling.
70 l ensemble is populated at each point of the allosteric cycle and how ligands control these populatio
71 ent ligand-binding conditions throughout the allosteric cycle of the Escherichia coli Hsp70 DnaK by t
72 t for small molecule modulators of the Hsp70 allosteric cycle.
73                      This study utilizes the Allosteric Database (ASD v3.0) and ChEMBL v20 to systema
74 egulatory beta1-subunit, sensitizing AMPK to allosteric drugs, and activates signaling pathways that
75                                         Such allosteric dynamics provides structural and mechanistic
76 f NMS overlaps with the binding site of some allosteric, ectopic and bitopic ligands.
77                                              Allosteric effect implies ligand binding at one site lea
78 ry near the M4 helix and exerts a long-range allosteric effect on the pore across domain-interfaces.
79                               PAM acts as an allosteric effector and triggers the interdependent conf
80 sm, suggesting that it may play a role as an allosteric effector of these processes.
81 domain binding partner and to function as an allosteric effector.
82                                        These allosteric effects thus reduce ATP hydrolysis by inactiv
83 s been achieve using light, applied voltage, allosteric effects, chemical reagents, pH, and mechanica
84 membrane-dependent substrate recognition and allosteric effects.
85                                      Through allosteric enhancement of HIF-1alpha release, CITED2 act
86 at were previously recognized as a source of allosteric entropy.
87                         Such systems include allosteric enzymes that play key roles in directing meta
88 ity are impacted by a collection of opposing allosteric features that inhibit or promote photoconvers
89 upled conformational changes that constitute allosteric function in proteins.
90 ch were rescued by treatment with a positive allosteric GABAA receptor modulator.
91 f a novel class of tricyclic sulfonamides as allosteric GlyR potentiators.
92 es recruitment and complexation, followed by allosteric growth of the proteinaceous coat.
93                   Overall, in support of the allosteric helix compression model, we find that the cha
94 ctivity by subtle local perturbations at SBD allosteric 'hotspots'.
95 al electronic influence combined with a weak allosteric hydrogen-bonding interaction that significant
96 nhibitors (MINIs) are a distinct subclass of allosteric IN inhibitors.
97  sites, isoform G-domain differences must be allosteric in origin, due to remote isoform-specific res
98 sis revealed a dual active site-directed and allosteric inhibition mode of this compound class.
99 ant for the utilization of amino sugars, and allosteric inhibition of Adk activity by HPr-P, but not
100 -nanosecond motions impact zinc (Zn)-induced allosteric inhibition of DNA binding by the Zn efflux re
101  discovery efforts have focused primarily on allosteric inhibition of hFPPS and the discovery of non-
102 ight into the pharmacophore requirements for allosteric inhibition.
103          Selectivity profiling indicated the allosteric inhibitor 3 is more Brr2-selective than the R
104 tal structure of LmFBPase complexed with its allosteric inhibitor AMP shows an inactive form of the t
105                               NDI-010976, an allosteric inhibitor of acetyl-coenzyme A carboxylases (
106 port the identification of a highly specific allosteric inhibitor of Akt through a FRET-based high-th
107        Our results show that ibuprofen is an allosteric inhibitor of ASIC1a, which binds to a crucial
108                      Here, we report that an allosteric inhibitor of GSK-3beta, 4-benzyl-2-(naphthale
109 a-IL-PFC treatment with apamin (KCa2 channel allosteric inhibitor) significantly enhanced extinction
110   The Si site offers a novel target site for allosteric inhibitors and a molecular explanation for th
111 adouts for the binding of the BPTES class of allosteric inhibitors as well as for inorganic phosphate
112 s were solved of the monomeric protease with allosteric inhibitors bound to the dimer interface site.
113                     Herein, we have reviewed allosteric inhibitors of the ubiquitin E1-E2-E3 and DUB
114 ctural constraints also explain one-third of allosteric inhibitors, a finding rationalized by crystal
115 f three structurally distinct NS5B palm site allosteric inhibitors, the high-throughput screening hit
116 ollar, the binding region for noncompetitive allosteric inhibitors.
117 sulted in the discovery of a novel series of allosteric inhibitors.
118 rase (IN) binding to the viral RNA genome by allosteric integrase inhibitors (ALLINIs) or through mut
119  residue dependencies in the construction of allosteric interaction networks and signaling pathways.
120                    This architecture enables allosteric interactions between the domains that are imp
121                                              Allosteric interactions in the Hsp70 proteins are linked
122 l to directly quantify the thermodynamics of allosteric interactions, but usually falls short of enab
123  targets for many diseases, fully mapping an allosteric landscape of a molecular chaperone like DnaK
124 ductions in glutaminase kinetic activity and allosteric ligand binding affinity.
125 ics can be harnessed by nature to evolve new allosteric ligand specificities in a compact molecular s
126 ese sites are less well-conserved, therefore allosteric ligands have greater selectivity on the speci
127                                              Allosteric ligands may bind to less-conserved regions of
128 ted the allosteric modulatory effects of two allosteric ligands, SRI-20041 and SRI-30827 on cocaine b
129 M macrocyclic peptide complex illuminated an allosteric, locked-open inhibition mechanism placing the
130 ith the native core of HspQ, is required for allosteric Lon activation.
131                            We show that this allosteric loop is vital for CaM regulation of the chann
132                       Our results suggest an allosteric mechanism for inhibition of BAK1 by C408 S-gl
133 co-receptor, suggests a possible role for an allosteric mechanism in TCR signalling.
134              The three structures suggest an allosteric mechanism in which AMP binding triggers a rea
135                        This has suggested an allosteric mechanism in which information regarding occu
136 ne residues reveal a previously unidentified allosteric mechanism in which the binding affinity of LA
137 her investigated and found to display an ago-allosteric mechanism of action and increased stability i
138 m of the enzyme were used to investigate the allosteric mechanism of inhibition.
139      Here, we find evidence of a PAM-induced allosteric mechanism revealed by microsecond molecular d
140                            Targeting such an allosteric mechanism should enable control of CRISPR-Cas
141                                          The allosteric mechanism was probed by microsecond MD simula
142 ng leads to rapid signal transduction via an allosteric mechanism, where global protein conformationa
143 the minor groove to control expression by an allosteric mechanism.
144 e tune how cells respond to a hormone via an allosteric mechanism.
145  represses its catalytic function through an allosteric mechanism.
146 mportant role for its bulky sidechain in the allosteric mechanism; we show that the energetic strengt
147 r TPR domains may be similarly influenced by allosteric mechanisms as a general feature of protein-pr
148                                      Yet the allosteric mechanisms governing PYK activity in bacteria
149  kinetics and elucidates the orthosteric and allosteric mechanisms regulating its channel gating.
150 iles that inhibit enzymes by active site and allosteric mechanisms, as well as disrupt protein-protei
151 ique insights into the binding, dynamic, and allosteric mechanisms.
152 l molecules that modulate Hsp70 function via allosteric mechanisms.
153 ing of the orthosteric ligands, implying its allosteric mode of action at the Y4R and evidence for a
154 TGF-beta1 stimulation was ameliorated by the allosteric modifier of Sirt1 deacetylase, SRT3025, in as
155 es a highly sensitive yardstick to probe the allosteric modulation in contrast to the traditionally u
156  in gating and represents a hub for powerful allosteric modulation of AMPA receptor function that can
157  chemokine CXCL14 synergizes with CXCL12 via allosteric modulation of CXCR4.
158 lecules act on synaptic transmission via the allosteric modulation of ligand-gated chloride channels,
159                               Acute positive allosteric modulation of mGlu5 or inhibition of endocann
160                         Conversely, positive allosteric modulation of mGluR5 results in the exacerbat
161  provide insights into how substrate-coupled allosteric modulation of structure and dynamics facilita
162 f 9-aminoacridine compounds that demonstrate allosteric modulation of the alpha1A- and alpha1B-adrene
163                                     However, allosteric modulation of their scaffolding abilities and
164 o identify level and type (positive/negative allosteric modulation or full antagonism) of mGluR5 modu
165 ar agonist probe dependence in the nature of allosteric modulation was apparent.
166 n the context of ligand binding, activation, allosteric modulation, and biased signaling.
167 ctivation by allosteric agonism, rather than allosteric modulation, could be responsible for the adve
168 and stereochemistry can affect the degree of allosteric modulation, indicating an unforeseen selectiv
169 idence for a purely efficacy-driven positive allosteric modulation.
170 he pyrrolidinyl ring is not required for CB1 allosteric modulation.
171 ore, treatment with orally bioavailable PAK4 allosteric modulator (KPT-9274) significantly impacted M
172 human primates (NHP) with the mGlu5 negative allosteric modulator (NAM) 7.
173  M1 receptor by a subtype-selective positive allosteric modulator (PAM) contributes to the gastrointe
174 f-administration, suggesting that a positive allosteric modulator (PAM) of alpha7 receptors, JNJ-3939
175          DCUK-OEt was shown to be a positive allosteric modulator (PAM) of GABA currents with alpha1b
176                     BMS-986122 is a positive allosteric modulator (PAM) of the mu-opioid receptor (mi
177                                          The allosteric modulator 1-(4-chlorophenyl)-3-(3-(6-(pyrroli
178 RLX with selective, full agonist or positive allosteric modulator activity against RXFP1.
179 ich can be used to quantify in situ positive allosteric modulator activity in vivo.
180 uggested a competitive mechanism between the allosteric modulator and the dibenzodiazepinone derivati
181 oreover, we provide evidence, using a silent allosteric modulator as an allosteric antagonist, that B
182             However, identification of nAChR allosteric modulator binding sites has been facilitated
183 ects of cannabinoids by acting as a negative allosteric modulator of alpha7 nicotinic receptors (alph
184 ere reversed by pretreatment with a positive allosteric modulator of alpha7nAChRs.
185       We postulate that CXCL14 is a positive allosteric modulator of CXCR4 that enhances the potency
186  dopamine receptors, was actually a negative allosteric modulator of D2- and D3-receptor dimers, thus
187  formulation of allopregnanolone, a positive allosteric modulator of gamma-aminobutyric acid (GABAA)
188                  Compound 15 (Cmpd-15) is an allosteric modulator of the beta2 adrenergic receptor (b
189 c glutamate type 5 (mGlu5) receptor negative allosteric modulator raseglurant.
190 is effect was reversed by the mGlu3-negative allosteric modulator VU0650786.
191 s regulators then co-binding with a positive allosteric modulator would greatly enhance their functio
192                 GAT211, a novel CB1 positive allosteric modulator, was evaluated for antinociceptive
193  were blocked by the GABAB receptor positive allosteric modulator.
194 o using a photocaged mGlu5 receptor negative allosteric modulator.
195 d their evaluation as AMPA receptor positive allosteric modulators (AMPApams).
196 utic utility of mGluR5 negative and positive allosteric modulators (an mGluR5 NAM and PAM) for TSC, u
197                                     Positive allosteric modulators (PAM) of metabotropic glutamate re
198 e-12 (BQZ-12), two highly selective positive allosteric modulators (PAMs) of M1 mAChRs.
199                         A number of positive allosteric modulators (PAMs) that enhance GABA's actions
200  Using novel mGlu receptor subtype-selective allosteric modulators along with knockout mice we now re
201                    In the search for 5-HT2CR allosteric modulators as safer antiobesity drugs, a chem
202                                              Allosteric modulators of G protein-coupled receptors, in
203 of quinoline-3-carbohydrazide derivatives as allosteric modulators of GSK-3beta are presented here.
204              These findings suggest that the allosteric modulators of GSK-3beta may be used for futur
205                     Drugs acting as positive allosteric modulators of muscle-type alpha2betagammadelt
206                   Subunit-selective positive allosteric modulators of NMDA receptor function have the
207 for this series of GluN2C-selective positive allosteric modulators of NMDA receptors.
208                                              Allosteric modulators of pentameric ligand-gated ion cha
209 entify further specific agonists or positive allosteric modulators of RXFP1, affirming the low drugga
210     Whereas numerous small-molecule positive allosteric modulators of the ligand-binding domain of (S
211                                              Allosteric modulators offer an alternative mechanism of
212  traditionally been pursued to target GPCRs, allosteric modulators provide several mechanistic advant
213  study may enable the design of new positive allosteric modulators selective for KARs, which will be
214                  Furthermore, nAChR positive allosteric modulators such as NS9283 and CMPI have been
215 nesis studies indicate that agonist positive allosteric modulators target the same general region, bu
216 ved in complexes with agonists, antagonists, allosteric modulators, and auxiliary proteins.
217  reveal a common binding pocket for negative allosteric modulators, present in both GLP-1R and GCGR a
218 uantify the potentiating effects of positive allosteric modulators, which can be used to quantify in
219 nally selective D1 ligands, and D1R positive allosteric modulators.
220 mplications for the development of selective allosteric modulators.
221 te that tyrosine 470 and 88 are critical for allosteric modulatory effects of SRI-compounds on the in
222                     Here we investigated the allosteric modulatory effects of two allosteric ligands,
223                                  Identifying allosteric modulatory molecules with potential attenuati
224                                   Hsp70s are allosteric molecular chaperones with conformational land
225 f alternative conformations (microstates) in allosteric molecules complicates interpretation of both
226 n binding experiments in the presence of the allosteric MR modulators W84 (8) or LY2119620 (9) (Schil
227                                              Allosteric mTOR inhibitors, such as rapamycin, incomplet
228 d attenuated the inhibitory potential of the allosteric myosin inhibitor pentabromopseudilin (PBP).
229 dies; an active-site binding nanobody and an allosteric nanobody.
230 odel system, we sought to dissect a putative allosteric network linking a cryptic site at the dimeriz
231 nt-flow betweenness scores, we identified an allosteric network of residue-residue contacts between t
232 tly demonstrated that Src kinase features an allosteric network that couples substrate-binding sites.
233 lusion is accelerated when Na(+) binds to an allosteric, nonspecific site, leading to a 2-fold increa
234 tron microscopy revealed that substrates and allosteric nucleotides shift the equilibrium between act
235 THF) product release, which can occur via an allosteric or an intrinsic pathway.
236 esidue interactions that represent potential allosteric paths between catalytic and ligand binding si
237                These residues form a dynamic allosteric pathway connecting the active site to the mai
238 tations pointed to an unexpected, long-range allosteric pathway towards the active site of the protei
239 ity assays, we show that atropine acts as an allosteric PDE type 4 (PDE4) inhibitor.
240 lycosaminoglycan mimetics (NSGMs), as direct allosteric plasmin inhibitors.
241                  Their interactions with the allosteric pocket of the enzyme were characterized by cr
242 Herein we report the identification of a new allosteric pocket on Ube2T through a fragment screening
243                  The characterisation of the allosteric pocket provides a new and novel target for ra
244 elucidate the molecular mechanism of complex allosteric processes in large biomolecular systems.
245 edictions to explore the structural basis of allosteric product release.
246 d that the pilin domain is essential for the allosteric propagation within the lectin domain that wou
247 h opposite cooperative effects had different allosteric properties depending on the arrangement of th
248 ique insights into the binding, dynamic, and allosteric properties of large systems.
249   We found that functional sites involved in allosteric regulation of Hsp70 may be characterized by s
250  to the chaperone activity is an ATP-induced allosteric regulation of polypeptide substrate binding a
251 s of topo II, and reveals a new mode for the allosteric regulation of topo II through modulation of A
252                                          The allosteric regulation triggering the protein's functiona
253 volving post-translational modifications and allosteric regulation with other protein partners.
254  catalytic mechanism, substrate specificity, allosteric regulation, and inhibition by a class of smal
255 tory mechanisms, including redox modulation, allosteric regulation, and protein oligomerization, that
256  binding activities are subject to intricate allosteric regulation.
257 exes, which we suggest is closely related to allosteric regulation.
258 ikely through a combination of targeting and allosteric regulation.
259 ed clot lysis, alluding to its promise as an allosteric regulator of plasmin.
260 referred physiological negative and positive allosteric regulators, adenosine 5'-monophosphate (AMP)
261  part by binding of purine nucleotides to an allosteric regulatory domain.
262 ional changes associated with the binding of allosteric regulatory proteins, and show that the greate
263 that the cis interaction with P2Y2R provides allosteric resistance to the membrane-normal motion asso
264 ribed herein streamlines design of synthetic allosteric riboswitches and small molecule-nucleic acid
265 m in plasmin, a protease homologous to other allosteric serine proteases.
266 gitator represents the starting point of the allosteric signal propagation pathway.
267 odels for uncovering strategies deployed for allosteric signal transduction.
268 ain (DBD) are physically connected to foster allosteric signal transmission between them.
269 anges in structural elements involved in the allosteric signal transmission.
270  majority of regulatory residues involved in allosteric signaling, suggesting that these sites could
271 structures revealed 3 binds to an unexpected allosteric site between the C-terminal and the N-termina
272 ng mode involving residues within TM10 in an allosteric site in BGT1 that corresponds to the alloster
273          Antagonist AZ3451 binds to a remote allosteric site outside the helical bundle.
274 thway connecting the active site to the main allosteric site that remains in the substrate-bound form
275        Here, the first structure of an NSAID allosteric site-the MEF-binding site of SULT1A1-is deter
276 rtant insights into the structural bases for allosteric site-to-active site communication and for bet
277 mOctR, and alpha2C-adrenergic receptor at an allosteric site.
278 rovides new insights into the mechanisms and allosteric sites [alpha(-)-interface containing] by whic
279 Kinetic analysis reveals co-occupancy of the allosteric sites by TIH and L-histidine.
280  straightforward approach to identify hidden allosteric sites is demonstrated in protein tyrosine pho
281  were more significantly enriched at protein allosteric sites than tolerated mutations, suggesting a
282 t propofol is not binding at the ATP site or allosteric sites that modulate microtubule-activated ATP
283 all molecules that are able to interact with allosteric sites.
284 -receptor dimers, thus identifying the first allosteric small molecule acting on these important ther
285                       The data imply that an allosteric SR protein-phosphatase platform balances phos
286 linker-docking site is available in only one allosteric state, that with high affinity for substrate.
287 -M306D mutation to uncouple the sTF-mediated allosteric stimulation of FVIIa provided a final complex
288 ure to translocate to nucleus, underlying an allosteric structural pathway for mediating ligand-induc
289 teristics may be necessary for regulation of allosteric structural transitions and could distinguish
290 alysis, transient interactions, folding, and allosteric structural transitions.
291  semi-independent subdomains connected by an allosteric switch at Asp52(2.50).
292 f ATP levels from the mitochondria act as an allosteric switch to activate NOX4.
293 plicates the interdomain linker as a dynamic allosteric switch.
294 Thus, these mutants represent a minimalistic allosteric system of FimH, useful for further mechanisti
295 ectral changes indicative of binding to both allosteric thumb sites I and II of NS5BDelta21 and induc
296 ys loop acts as a key control element in the allosteric transduction pathway for potentiating betaEST
297 e PDZ domain (PDZ2S) have indicated that the allosteric transition occurs on multiple timescales.
298  evidence for how sidechain dynamics control allosteric transitions between GPCR conformations.
299 diate fast chemical signaling through global allosteric transitions.
300 ions, suggesting a critical role for protein allosteric variants in cancer.

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