1 we report a series of novel and D3R crystal
structure-guided 4-phenylpiperazines with exceptionally
2 The
structure guided a bioinformatic screen to identify pote
3 Using
structure-guided active site engineering, we unravel str
4 Structure-guided addition of a metal-binding pharmacopho
5 Structure-guided alterations of amino acid residues in F
6 By site-directed mutagenesis and
structure-guided analyses, we dissected the function of
7 Structure-guided analysis reveals the molecular interpla
8 n of a highly selective DAGL inhibitor using
structure-guided and a chemoproteomics strategy to chara
9 Structure-guided and comparative sequence analyses were
10 Using a
structure-guided and fragment-based library approach, we
11 Here, we utilize a sequence
structure guided approach based on a homology model of S
12 re and a refined binding model allowed for a
structure guided approach.
13 e drug leads, which has been a commonly used
structure-guided approach in the past.
14 from the amidohydrolase superfamily using a
structure-guided approach that integrates bioinformatics
15 l structures of both enzymes, we have used a
structure-guided approach to develop a novel series of i
16 We used a
structure-guided approach to overcome DHFR inhibition wh
17 Using a
structure-guided approach, we designed a battery of GIV
18 Using a
structure-guided approach, we discovered that type II PA
19 Here we report that
structure-guided approaches for predicting the substrate
20 DNA-RNA CRISPR and tracr molecules based on
structure-guided approaches.
21 Structure-guided biochemical analysis also shows that Pr
22 Structure-guided biochemical analysis reveals that a sec
23 function of this hypothetical hot spot using
structure-guided biochemical and functional assays.
24 Structural analysis, together with
structure-guided biochemical characterization, uncovered
25 Structure-guided biochemical, mutational, computational,
26 ree-dimensional information, supplemented by
structure-guided biophysical and biochemical experimenta
27 omplex landscape of nonequilibrium colloidal
structures, guided by biological design principles.
28 y (AIDA) for assembling multi-domain protein
structures, guided by the ab initio folding potential.
29 A
structure-guided campaign afforded additive improvements
30 The
structure-guided cell-based inhibition studies further d
31 Here we describe a
structure-guided chemical approach to covalently and spe
32 affinities of ABP fragments were improved by
structure-guided chemistry, first for conjugation as thi
33 in-type O-glycans are recognized and allow a
structure-guided classification of the Epa family into s
34 A
structure-guided comparison of these linker proteins ide
35 ent-based and high-throughput screening with
structure-guided compound elaboration has yielded a tool
36 Here we present mCSM-lig, a
structure-guided computational approach for quantifying
37 Structure-guided deletion of the insert greatly reduces
38 Furthermore,
structure-guided derivatives with an altered piperidine
39 Structure guided design and reverse genetics were used t
40 Using
structure guided design, we optimized a fragment that bo
41 imately 0.2-800 microM were engineered using
structure-guided design and a high-throughput screening
42 Using
structure-guided design and directed protein evolution,
43 We report the
structure-guided design and group-based optimization of
44 he mechanism of receptor activation, and for
structure-guided design and optimization of ligands.
45 h, we combined evolutionary information with
structure-guided design and yeast surface display to pro
46 A
structure-guided design approach using a homology model
47 A
structure-guided design approach was employed to exploit
48 This proof-of-principle that
structure-guided design can lead to drug-like molecules
49 This report describes the
structure-guided design of a novel series of potent pan-
50 ligand binding and provide the framework for
structure-guided design of activated c-Met inhibitors.
51 tain key compounds and set the stage for the
structure-guided design of better translation inhibitors
52 n interface, thus paving the way to a future
structure-guided design of cell adhesion inhibitors agai
53 therapeutic intervention in cancer: from the
structure-guided design of chemical chaperones to restor
54 The
structure-guided design of chloride-conducting channelrh
55 Here, we report the
structure-guided design of hbeta4GalT7 inhibitors.
56 Herein, we report the crystal-
structure-guided design of highly stable RNA nanotriangl
57 We report the
structure-guided design of HIV-1 cyclically permuted gp1
58 Structure-guided design permits utilization of the aroma
59 eds of liganded structures in support of our
structure-guided design process, demonstrating the feasi
60 Env-
structure-guided design strategies resulted in multiple
61 Here we show a
structure-guided design strategy that, by truncation and
62 Here, we employed a
structure-guided design to convert a known Hsp90 inhibit
63 We here employ computational and
structure-guided design to develop improved native-like
64 We used computational and
structure-guided design to develop two next-generation N
65 equencing, computational bioinformatics, and
structure-guided design to enhance the neutralization po
66 of protein-protein interactions and enables
structure-guided design to improve antiviral potency and
67 Structure-guided design was used to generate a series of
68 More recently, use of
structure-guided design with fragment-based drug discove
69 Here we report the
structure-guided design, chemical synthesis and biologic
70 novel class of antibacterials by the use of
structure-guided design, modeling, and structure-activit
71 Using
structure-guided design, pyrene maleimide was attached t
72 s methyl donor cofactor, we have carried out
structure-guided design, synthesis, and characterization
73 In this paper, we describe the
structure-guided design, synthesis, structure-activity r
74 From screening of HEFLibs and subsequent
structure-guided design, we developed substituted 2-(ami
75 ays and fragment-based screening assisted by
structure-guided design, we discovered a novel class of
76 Using
structure-guided design, we made a series of mutations a
77 Using
structure-guided design, we replaced conserved residues
78 ) hit and progressed via iterative cycles of
structure-guided design.
79 Here, we present the
structure guided development of a series of N,N-dimethyl
80 we describe in detail the identification and
structure guided development of Ras-PDEdelta inhibitors
81 Here, we describe a
structure-guided development of a series of covalent and
82 Here, we report our
structure-guided development of diazobenzene-based small
83 Herein we report the
structure-guided development of TbcatB inhibitors with s
84 Here, we show that
structure-guided directed evolution of the active site o
85 By using a
structure-guided discovery approach, a potent and select
86 Here we describe the
structure-guided discovery of functional modifications f
87 Herein, we describe the
structure-guided discovery of PLX4032 (RG7204), a potent
88 d Paraburkholderia phytofirmans coupled with
structure-guided disulfide cross-linking in P. aeruginos
89 so, we selected multiple chemical series by
structure guided docking studies and evaluated GR agonis
90 P site of FBPase, which was achieved using a
structure-guided drug design approach.
91 Rp), for which mechanistic understanding and
structure-guided drug design efforts have been hampered
92 site between FluA and FluB PB2 and will aid
structure-guided drug design efforts to identify dual in
93 nhibitors of the XPA-DNA interaction through
structure-guided drug design efforts.
94 Structure-guided drug design relies on detailed structur
95 The use of
structure-guided drug design techniques provided compoun
96 e 1-position anomeric glycosides using X-ray
structure-guided drug design.
97 selective covalent FGFR4 inhibitor, through
structure-guided drug design.
98 y relevant inactive conformation may advance
structure-guided drug development.
99 A
structure-guided drug discovery approach enabled the dev
100 The use of protein crystallography in
structure-guided drug discovery emerged as enzyme struct
101 ates and products by LpxC and a platform for
structure-guided drug discovery of broad spectrum Gram-n
102 d-binding site is an important first step in
structure-guided drug discovery, but current methods do
103 xpected to facilitate "scaffold hopping" and
structure-guided elaborations of fragment-like kinase in
104 Here we describe
structure-guided engineering of a CRISPR-Cas9 complex to
105 the channelrhodopsin pore model via crystal
structure-guided engineering of next-generation light-ac
106 y biogenesis and provides a template for the
structure-guided engineering of the protein-glycan inter
107 By combining rational
structure-guided engineering with high-throughput screen
108 Using
structure-guided enzyme engineering, we generated a TK2
109 Our
structure-guided enzyme kinetic study further demonstrat
110 To test this hypothesis, we developed a
structure-guided evolution approach that does not requir
111 We report the expedient,
structure-guided evolution of weak physiological alloste
112 structures can now serve as templates for a
structure-guided exploration of both conserved and virus
113 Structure-guided exploration of commercial chemical spac
114 This was achieved in a
structure-guided fashion by changing the substituents at
115 Subsequently,
structure-guided fragment-to-lead optimization led to th
116 This study establishes the utility of
structure-guided functional predictions to enable the di
117 We suggest incorporation of
structure-guided genetic inference assays into pharmaceu
118 Structure-guided growth enabled rapid optimization of po
119 of the E. coli GUS operon is identified, and
structure-guided GusR mutants pinpoint the residues esse
120 A
structure-guided hybridization approach using two privil
121 We report the
structure-guided identification of three series of selec
122 Structure-guided improvements yield superior affinity re
123 The interface defined in this
structure guided in silico modeling, mutagenesis, and in
124 as optimized using a strategy focused on the
structure-guided increase in potency without added lipop
125 timized against PFKFB3 kinase using critical
structure-guided insights.
126 Structure-guided kinetic analysis of site-directed mutan
127 hat recognize all possible N0 bases, we used
structure-guided library design coupled with TALE-R acti
128 eening assays, fragment-based screening, and
structure-guided ligand design approaches.
129 inhibitors, developed using fragment-based,
structure-guided linking and optimization techniques.
130 Structure-guided manipulation of residues involved in th
131 Structure-guided mapping combined with site-directed mut
132 main III of the E protein, and engineered by
structure-guided methods an antibody directed to it.
133 We have used
structure-guided methods to develop a lead molecule that
134 hese data, together with inhibitor-based and
structure-guided methods, to engineer selective FXIIa in
135 PIE12-trimer was designed using
structure-guided mirror-image phage display and linker o
136 A
structure-guided model of the MepR-mepA operator complex
137 n and synthesis of [Lys(52)]CTX-I(41-60) via
structure-guided modification, a truncated, equipotent a
138 d to unmodified gp120, presumably due to the
structure-guided modifications of the modified gp120 cor
139 746-750) were introduced through a series of
structure-guided modifications.
140 e use of comparative structural analysis and
structure-guided molecular design to develop potent and
141 Structure-guided molecular genetic analyses revealed tha
142 Structure guided mutagenesis studies demonstrated that t
143 Structure guided mutagenesis was carried out to confirm
144 Structure-guided mutagenesis and atomic force microscopy
145 proposed signaling mechanism is supported by
structure-guided mutagenesis and deletion analyses on CB
146 Structure-guided mutagenesis and electrophysiological da
147 We then used
structure-guided mutagenesis and electrophysiological re
148 Using a combination of
structure-guided mutagenesis and electrophysiology, we f
149 Furthermore, we employ
structure-guided mutagenesis and functional assays to de
150 Structure-guided mutagenesis and mathematical modeling f
151 Structure-guided mutagenesis and molecular dynamics simu
152 idated experimentally using a combination of
structure-guided mutagenesis and RNA structure probing.
153 Structure-guided mutagenesis and swapping of peptide seg
154 Structure-guided mutagenesis combined with biophysical a
155 Structure-guided mutagenesis confirmed the observed inte
156 Structure-guided mutagenesis confirms the importance of
157 Structure-guided mutagenesis enabled uncoupling of virul
158 Structure-guided mutagenesis establishes the molecular d
159 Structure-guided mutagenesis experiments of TarM identif
160 Results from
structure-guided mutagenesis experiments suggest that Yj
161 NMR spectroscopy and
structure-guided mutagenesis identified a small hydropho
162 Structure-guided mutagenesis identified residues that co
163 Functional experiments employing
structure-guided mutagenesis in macrophages highlight am
164 Structure-guided mutagenesis indicates that METTL3 is th
165 Extensive
structure-guided mutagenesis of C7 identified three loop
166 new red-excitable monomeric FPs obtained by
structure-guided mutagenesis of mNeptune.
167 Structure-guided mutagenesis of Msl5 distinguished four
168 Structure-guided mutagenesis of p68 residues in the inte
169 he greatest activity against acetyl-CoA, and
structure-guided mutagenesis of putative active site res
170 the X-ray crystal structure of SalBIII, and
structure-guided mutagenesis of putative active-site res
171 Structure-guided mutagenesis of residues within the GDP-
172 Structure-guided mutagenesis of the close paralogue SWEE
173 Structure-guided mutagenesis of the complete surface of
174 Structure-guided mutagenesis of the pore residues shows
175 Structure-guided mutagenesis of the proposed substrate-b
176 entify the p68N-docking site on Tag by using
structure-guided mutagenesis of the Tag helicase surface
177 Using
structure-guided mutagenesis on the human p53 scaffold,
178 Structure-guided mutagenesis results show that the tunne
179 Structure-guided mutagenesis results show that this cano
180 Structure-guided mutagenesis revealed four catalytic res
181 Structure-guided mutagenesis revealed key contacts of bo
182 ently complexed with ubiquitin and carry out
structure-guided mutagenesis revealing a novel mode of u
183 Structure-guided mutagenesis reveals that His175, Arg186
184 Structure-guided mutagenesis reveals that the bacterial
185 To address this limitation, we performed a
structure-guided mutagenesis screen to increase the targ
186 In functional studies, our
structure-guided mutagenesis showed that both CR2C and C
187 Structure-guided mutagenesis studies confirmed the deter
188 Structure-guided mutagenesis studies establish a crucial
189 Structure-guided mutagenesis studies revealed the underp
190 d of the nucleobase pocket and we show using
structure-guided mutagenesis that the conserved salt-bri
191 We performed
structure-guided mutagenesis to generate mutant viruses,
192 we report here our initial attempt to apply
structure-guided mutagenesis to phy engineering using Ar
193 Here, we used x-ray crystallography and
structure-guided mutagenesis to show that an alpha-helic
194 Structure-guided mutagenesis was used here to investigat
195 Structure-guided mutagenesis was used to generate antibo
196 Using a functional reconstituted DISC,
structure-guided mutagenesis, and quantitative LC-MS/MS,
197 Using
structure-guided mutagenesis, biochemical, and genetic a
198 Structure-guided mutagenesis, cell-based zinc uptake ass
199 Using NMR
structure-guided mutagenesis, electrophoretic mobility s
200 Structure-guided mutagenesis, in vitro ubiquitination an
201 Structural analysis, combined with
structure-guided mutagenesis, leads us to propose a cata
202 ant mutant SbPAL1 enzymes were generated via
structure-guided mutagenesis, one of which, H123F-SbPAL1
203 3811 bound to cAMP, and we confirmed through
structure-guided mutagenesis, the residues important for
204 Through
structure-guided mutagenesis, we created a mutant ligase
205 Using
structure-guided mutagenesis, we found that coiled-coil
206 Using
structure-guided mutagenesis, we have identified several
207 hetero-PYD/PYD associations, as confirmed by
structure-guided mutagenesis.
208 re, biochemical and physiological studies of
structure-guided mutants are used to show that the hexam
209 Additional experiments using
structure-guided mutants show that Nup107 is the critica
210 Using acetylation assays with
structure-guided mutants, we map residues important for
211 p100/IkappaBdelta and functional analysis of
structure-guided mutants, we show that p100/IkappaBdelta
212 Structure-guided mutation allows the generation of a low
213 A
structure-guided mutation in Sestrin2 that decreases its
214 Finally, expression of tubulin with a
structure-guided mutation in the rigosertib-binding pock
215 Structure-guided mutation of a critical residue, F270, t
216 reviously observed for Ly49C.H-2K(b) Indeed,
structure-guided mutation of Ly49C indicated that Ly49C.
217 Structure-guided mutational analyses of RopB dimer inter
218 Molecular modeling and
structure-guided mutational analysis allowed us to ident
219 Finally,
structure-guided mutational analysis confirms the import
220 Structure-guided mutational analysis converted KATms fro
221 Structure-guided mutational analysis identified active s
222 Here we performed a
structure-guided mutational analysis of the NTase domain
223 Here we performed a
structure-guided mutational analysis of the OB and latch
224 Structure-guided mutational analysis reveals elements un
225 We also performed
structure-guided mutational analysis to survey the funct
226 Structure-guided mutational analysis verified that the M
227 In this paper, using
structure-guided mutational analysis, we investigate the
228 Using a
structure-guided mutational approach, we showed that mod
229 Structure-guided mutational studies disclosed distinctiv
230 Structure-guided mutations in MYC that disrupt interacti
231 tion crystal structure of RcdA and generated
structure-guided mutations in rcdA.
232 Structure-guided mutations in vitro and in vivo in yeast
233 tory activity, we have investigated a set of
structure-guided mutations of conserved tertiary archite
234 Structure-guided mutations of NreA reduced its nitrate b
235 Structure-guided mutations reduced QKI RNA-binding affin
236 mechanism for immune system suppression, and
structure-guided mutations show that the Acr proteins bi
237 Structure-guided mutations show that the interface betwe
238 Structure-guided mutations that disrupt the TIGIT/TIGIT
239 Using
structure-guided mutations, we are able to transfer E. c
240 This paper describes the
structure guided optimization of the 2,4-dihydroxybenzam
241 Structure guided optimization was used to design arrays
242 We report the
structure-guided optimization of 3,5-dimethylisoxazole d
243 The HTS-based discovery and
structure-guided optimization of a novel series of GKRP-
244 Identification and
structure-guided optimization of a series of 4-(pyrazol-
245 The majority of this paper details the
structure-guided optimization of indazole (6) using info
246 We report the
structure-guided optimization of pyridazine amide spleen
247 nents of the human RNAi pathway have enabled
structure-guided optimization of siRNA properties.
248 We now report the
structure-guided optimization of this chemical series ba
249 HTLV-1 PR and provides the basis for further
structure-guided optimization strategies.
250 Subsequent
structure-guided optimization then resulted in inhibitor
251 lo[2,3-b]pyridine LRRK2 inhibitors underwent
structure-guided optimization using this crystallographi
252 Structure-guided optimization was used to design new ana
253 Structure-guided or autoimmune disease (IPEX)-associated
254 This
structure guided our mutational analysis of the P. aerop
255 Using
structure-guided pharmacophore design followed by dockin
256 Structure-guided point mutants and the monobody abrogate
257 The ability of in silico tools, including
structure-guided prediction programmes to characterize n
258 Structure-guided presentation could enhance protection a
259 Our findings confirm the advantages of
structure-guided protein engineering to design improved
260 Here, we use
structure-guided protein engineering to improve the spec
261 cture analysis, pore vestibule modeling, and
structure-guided protein engineering, we designed and ch
262 Through
structure-guided protein engineering, we generated sever
263 By
structure-guided rational design, ARN3 was converted int
264 ism of endotoxin modification and will aid a
structure-guided rational drug design approach to treati
265 Our results show that SCHEMA
structure-guided recombination enables quantitative pred
266 SCHEMA
structure-guided recombination of 3 fungal class II cell
267 Here we describe the
structure-guided reprogramming of the DNA sequence speci
268 carefully-chosen training sequences made by
structure-guided SCHEMA recombination has enabled us to
269 We have used
structure-guided SCHEMA recombination to create a large
270 Here, we present a
structure-guided,
selective nNOS inhibitor design based
271 to ERK2 relative to antitarget GSK3, enabled
structure-guided selectivity optimization, which led to
272 etically encoded calcium indicators-based on
structure-guided sensor design or on precise subcellular
273 Structure-guided separation-of-function mutations show t
274 From
structure-guided sequence comparison, Glu-280 was identi
275 Structure guided site-directed mutagenesis identified Ly
276 Structure-guided site-directed mutagenesis coupled with
277 Furthermore,
structure-guided site-directed mutagenesis indicated tha
278 (G320D) protein was unstable, and results of
structure-guided site-directed mutagenesis suggest that
279 in silico evolutionary lineage analysis and
structure-guided site-directed mutagenesis with large-sc
280 Structure-guided site-directed mutagenesis, in conjuncti
281 on in the function of cardiac RyR (RyR2) via
structure-guided site-directed mutagenesis.
282 Structure-guided site-directed mutants were prepared and
283 Structure-guided site-directed mutations converted SLAC1
284 A
structure-guided,
site-directed mutation-based inquiry o
285 Here we present a
structure-guided small-molecule and chemoproteomics appr
286 In vivo analysis of
structure-guided STIL mutants reveals distinct binding m
287 owledge, which can be typically enhanced via
structure-guided strategies.
288 Subsequent
structure-guided studies led to the identification of in
289 Structure-guided studies of key base, sugar, and phospha
290 Structure-guided studies reveal that oncogenic BRAF muta
291 Furthermore, our
structure-guided studies suggest that MoaC catalysis inv
292 have manipulated nucleotide binding through
structure-guided substitutions of an ultraconserved glyc
293 Furthermore,
structure-guided substitutions of residues in the KDM2A
294 We exemplify current developments in
structure-guided target identification and fragment-base
295 In this study, we used
structure-guided truncations of the PB2 subunit to show
296 Here we report the results of a
structure-guided,
two-residue screening matrix to discov
297 ce of disease-relevant mutations, and that a
structure-guided U2AF(65) variant is capable of manipula
298 -2, and SIV, have important implications for
structure-guided vaccine design.
299 NA and ARF-Aux/IAA interactions, we analyzed
structure-guided variants of synthetic auxin response ci
300 Structure-guided Zf-GRF mutations impact APE2 DNA bindin