ライフサイエンスコーパス: cocrystal

1 an organic solvate to be trapped in a binary cocrystal.

2 ze the findings based upon an Abl-compound 1 cocrystal.

3 component combinations yielding at least one cocrystal.

4 actions to the GAC tertiary structure in the cocrystals.

5 ch for the development of responsive organic cocrystals.

6 C-I distance) in o-diiodotetrafluorobenzene cocrystals.

7 emonstration of THz spectroscopic imaging of cocrystals.

8 through X-ray analysis of the sugar-protein cocrystals.

9 apsulate C(70) and result in two-dimensional cocrystals.

10 ds, and in the manufacture of pharmaceutical cocrystals.

11 Here, we report cocrystal and cryo-EM structures of Geobacillus kaustoph

12 copy allows quantitative chemical mapping of cocrystals and offers researchers and drug developers a

13 The cocrystals are composed of a tetratopic hydrogen-bond-ac

14 Organic charge transfer cocrystals are inexpensive, modular, and solution-proces

15 Cocrystals are molecular complexes having crystal struct

16 These cocrystals are of considerable interest because of their

17 ature and strength of CT interactions in the cocrystal assembly.

18 AFM of cocrystals: Atomic force microscopy can be used to obser

19 nylphosphine, -arsine, and -stibine provides cocrystals based on I...P, I...As and I...Sb halogen bon

20 ility is observed for members of a series of cocrystals based on systematic changes to one cocrystal

21 is presented for the construction of ternary cocrystals, based on the orthogonality of two supramolec

22 ng attempts to produce novel two-dimensional cocrystals by coadsorbing components in a binary mixture

23 e by compressing a benzene-hexafluorobenzene cocrystal (CHCF), H-F-substituted graphane with a layere

24 R that could not be rationalized through the cocrystal complex, we sought to predict SAR through a QS

25 ocrystals based on systematic changes to one cocrystal component.

26 Hollow organic molecular cocrystals comprised of 9-methylanthracene-1,2,4,5-tetra

27 tified using THz spectroscopic data, and the cocrystal concentration was calculated with 0.3-1.3% w/w

28 We report a remarkable system of cocrystals containing nicotinamide (NIC) and (R)-mandeli

29 The formation of these cocrystals decreases energy but expands volume, in contr

30 it sharp peaks, enabling us to visualize the cocrystal distribution in nonuniform tablets.

31 The cocrystal distribution was clearly identified using THz

32 Interestingly these cocrystals exhibited very diverse dielectric response in

33 y of 0.31 cm(2) V(-1) s(-1), and the 1-C(70) cocrystal exhibits ambipolar transport characteristics w

34 Conversely, the DADP/TITNB cocrystal features impact sensitivity that is greatly re

35 imated the absolute binding constants) and a cocrystal featuring biaxial coordination of a diamide to

36 sion is general for the formation of all NIC cocrystals for which data exist (n = 40): +3.9 A(3)/mole

37 This cocrystal form was advanced to clinical development as a

38 Instead, a novel cocrystal form with superior solubility was discovered a

39 halogen bonds sufficiently strong to enable cocrystal formation is an advance in supramolecular chem

40 se of excipients, particle coating, salt, or cocrystal formation.

41 e mechanisms and pathways of mechanochemical cocrystal formation.

42 ere we report supramolecular charge-transfer cocrystals formed by electron acceptor and donor molecul

43 lization and why some molecules are prolific cocrystal formers.

44 st, centimeter-long, organic charge transfer cocrystals have been grown by liquid-liquid diffusion un

45 Although the properties of these cocrystals have been investigated for decades, the princ

46 Six new binary charge-transfer (CT) cocrystals have been synthesized by solvent drop-assiste

47 ntial photobehavior of the pure crystals and cocrystals highlights the importance of TU in templating

48 The cocrystal includes the anionic [Ad(-)(HThy)] base pair w

49 able polymorph of the caffeine-glutaric acid cocrystal into the thermodynamically stable form was ana

50 s shown by colossal thermal expansion of the cocrystal involving I...Sb halogen bonds.

51 (GAC) of 23S ribosomal RNA (rRNA) as seen in cocrystals is extremely compact.

52 between relative module composition and the cocrystal lattice parameters.

53 bromobutadiyne, via topochemical reaction in cocrystals, leading to the ordered polymer poly(dibromod

54 mpact sensitivity of DADP is retained by the cocrystal, making it a denser and less volatile form of

55 nlike the crystal with virtual porosity, the cocrystal material remains single crystalline and porous

56 THz spectra of caffeine-oxalic acid cocrystal measured at low temperature exhibit sharp peak

57 s of two polycyclic 1:1 arene-perfluoroarene cocrystals, naphthalene/octafluoronaphthalene (NOFN) and

58 ay structuring supports the formation of the cocrystal of 5 with 3,5-diamino-1,2,4-triazole, which wa

59 report a structure at 2.8-A resolution of a cocrystal of a She2p tetramer bound to a segment of She3

60 Analysis of the X-ray cocrystal of compound 51 bound to hGKRP revealed that th

61 Enzyme kinetics and the structure of a cocrystal of IRE1 complexed with ADP and quercetin revea

62 A cocrystal of PABC bound to LARP4 PAM2w shows tryptophan

63 Cocrystal of pamiparib shows similar binding sites with

64 Eight 2:1 cocrystals of amino acid zwitterions and Li(+) salts wer

65 Cocrystals of arachidonic acid and horse spleen apoferri

66 Cocrystals of both macro- and nanodimensions with highly

67 ution and X-ray crystallographic analysis of cocrystals of pyrene and NACs in the solid state indicat

68 While cocrystals of these eleven olefins photodimerized to a s

69 A series of cocrystals of three different diiodobenzene molecules an

70 44)][Thy].2H(2)O, as well as the double salt cocrystal, [P(4444)](2)[Ad][Thy].3H(2)O.2HThy.

71 ivity of a wide range of molecular and ionic cocrystals, pharmaceuticals, materials, and biomolecules

72 The noncentrosymmetric nature of the cocrystals, required to observe ferroelectric behavior,

73 data and the X-ray structure of the CR2-C3d cocrystal result in highest-scoring solutions in which C

74 The solid-state superstructure of the cocrystals reveals that a 2:1 ratio of acceptor to donor

75 This dramatic difference in cocrystal sensitivities may stem from the significantly

76 nd strengths and solid-state properties, and cocrystal series such as that presented here provide a p

77 We show components of binary cocrystal solvates to undergo an intermolecular photorea

78 X-ray cocrystal structural analysis revealed that the basis fo

79 c binding of norathyriol with ERK2 through a cocrystal structural analysis.

80 assay in combination with cellular and TLR8 cocrystal structural data resulted in the identification

81 NMR and X-ray cocrystal structural studies provided more structural in

82 odel for Machupo virus, for which a suitable cocrystal structural template exists.

83 Here we report the high-resolution cocrystal structure (1.5 angstrom) of the DENV-2 capsid

84 The E. faecalis mvaS-hymeglusin cocrystal structure (1.95 A) reveals virtually complete

85 This cocrystal structure allowed the design of a covalent inh

86 ctivity relationship (SAR) studies and X-ray cocrystal structure analysis allowed a detailed assessme

87 An X-ray cocrystal structure and a refined binding model allowed

88 An X-ray cocrystal structure and SAR study revealed the ability o

89 to BRPF1B was rationalized through an X-ray cocrystal structure determination, which showed a flippe

90 Conversely, the phosphomimetic mutant cocrystal structure disclosed an alternative arrangement

91 The cocrystal structure for one of these antibodies, D25, in

92 Modeling onto a CYT-18/group I intron cocrystal structure indicates that the C-terminal domain

93 Our PptT-inhibitor cocrystal structure may aid further development of antim

94 site on CR2 have indicated that the CR2-C3d cocrystal structure may represent an encounter/intermedi

95 On the basis of cocrystal structure of 1 in human PDE10A enzyme, we desi

96 The X-ray cocrystal structure of 1 with the ALK kinase domain reve

97 The cocrystal structure of 10 with MDM2 inspired two indepen

98 With the aid of an unphosphorylated Akt1 cocrystal structure of 12j solved at 2.25 A, it was poss

99 We have determined a cocrystal structure of 18 in complex with BRD4 BD2 at 1.

100 Cocrystal structure of 26 in PDE10A confirmed the bindin

101 vel interactions with L92/L94 confirmed by a cocrystal structure of 27 with BRD4.

102 The cocrystal structure of 3 (PHA-665752), bound to c-MET ki

103 Determination of the cocrystal structure of 31 with BRD4 BD2 provides a struc

104 The cocrystal structure of 45 in complex with human BRD4 BD1

105 Guided by the cocrystal structure of 5, SAR exploration revealed that

106 esis of new cathepsin B inhibitors using the cocrystal structure of 5-nitro-8-hydroxyquinoline in the

107 Although a cocrystal structure of a complex between C3d and the lig

108 We report the 2.05-A resolution cocrystal structure of a complex of BioH with pimeloyl-A

109 As revealed by a cocrystal structure of a core MOBKL1B-NS5A peptide compl

110 We now report a cocrystal structure of a CR2(SCR1-2):C3d complex at 3.2

111 or 2 (TLR2), were designed making use of the cocrystal structure of a TLR2 heterodimer (with TLR1) wi

112 for inhibitor interaction, we determined the cocrystal structure of ABL2 with the oncology drug imati

113 With the cocrystal structure of an advanced ligand in this novel

114 Here we present the cocrystal structure of an engineered thermostable varian

115 The 2.2 A resolution cocrystal structure of an inactive variant in complex wi

116 e oligomeric ligand:NP complex, and an X-ray cocrystal structure of an NP dimer of trimers (or hexame

117 The cocrystal structure of antibody 10E8v4 with its HIV-1 ep

118 We report the cocrystal structure of bacteriophage N15 Cro with a symm

119 The cocrystal structure of CAP257-RH1 bound to RHPA gp120 re

120 Here, we determine the cocrystal structure of chicken ASIC1a with MitTx, a pain

121 Guided by the X-ray cocrystal structure of compound 1 bound to hGKRP, we ide

122 Furthermore, a cocrystal structure of compound 24 complexed to TNKS1 de

123 d were prepared taking advantage of an X-ray cocrystal structure of compound 5 with GSK-3beta.

124 The cocrystal structure of CR2 with its ligand C3d provides

125 he active site of the enzyme, as seen in the cocrystal structure of derivative 31 with the homodimeri

126 the ones reported for 1) the high resolution cocrystal structure of epothilone A with an alpha,beta-t

127 d as an irreversible covalent inhibitor, the cocrystal structure of FAAH complexed with compound 2 re

128 We here report the cocrystal structure of FKBP51 with a simplified alpha-ke

129 l structure of the G9a-10 complex, the first cocrystal structure of G9a with a small molecule inhibit

130 A cocrystal structure of HDAC6 complexed with NR-160 discl

131 A 2.9 A cocrystal structure of JAK3 in complex with 9 confirms t

132 The cocrystal structure of LL320 confirms its interaction wi

133 Cocrystal structure of meningococcal factor H binding pr

134 The cocrystal structure of Mer with two compounds (7 and 22)

135 The cocrystal structure of NBD-11021 complexed to a monomeri

136 We solved a 2.25 angstrom cocrystal structure of one DAC helical peptide bound to

137 A UTP cocrystal structure of one mutant shows, in contrast to

138 Importantly, we report a cocrystal structure of one of our compounds (29c) bound

139 rther understand the mode of inhibition, the cocrystal structure of one of the most promising candida

140 The cocrystal structure of one of these compounds with caspa

141 A cocrystal structure of one such inhibitor reveals specif

142 s enabled the acquisition of the first X-ray cocrystal structure of p110beta with the selective inhib

143 In a previous study, a cocrystal structure of PPARgamma bound to 2-chloro-N-(3-

144 Based on a cocrystal structure of PRMT6-MS023 (a type I PRMT inhibi

145 On the basis of the cocrystal structure of RAP1/TRF2 complex, we have develo

146 d with wild type MDD, as judged by the 2.1 A cocrystal structure of S192A with FMVAPP.

147 nto inhibition of MPO by SPIN, we solved the cocrystal structure of SPIN bound to a recombinant form

148 HF three-dimensional structure, based on the cocrystal structure of Streptomyces coelicolor IHF duple

149 A cocrystal structure of T338C c-Src with a vinylsulfonami

150 A 2.4 A cocrystal structure of TAK1 in complex with 1 confirms t

151 The cocrystal structure of the 1918 hemagglutinin with 2D1,

152 In this study, a cocrystal structure of the acetylcholine binding protein

153 With the cocrystal structure of the best ligand in this novel ser

154 h a previously reported small molecule X-ray cocrystal structure of the Jak1 kinase domain, provided

155 A cocrystal structure of the ligand-binding domain of ERRa

156 We determine the cocrystal structure of the MeCP2 NID in complex with the

157 In the cocrystal structure of the mutated Ls-AChBP with the hig

158 The cocrystal structure of the NiV W:14-3-3 complex, as only

159 Here, we report a 2.8- angstrom cocrystal structure of the Nocardia farcinica ileS T-box

160 We report the 1.8-A cocrystal structure of the PksA PT domain from aflatoxin

161 conformational change in GlpG by solving the cocrystal structure of the protease with a mechanism-bas

162 The cocrystal structure of the related oxindole hydrazide c-

163 A cocrystal structure of the SAR405838:MDM2 complex shows

164 The cocrystal structure of the W C-terminal binding motif wi

165 omain of 10 amino acids in TRPM3 and solve a cocrystal structure of this domain together with Gbetaga

166 The cocrystal structure of this enzyme with a transition sta

167 scopy and is complemented by a comprehensive cocrystal structure prediction methodology that surpasse

168 The native nonphosphorylated cocrystal structure revealed an inactive dimer in which

169 A 1.8-angstrom cocrystal structure revealed that SR-717 functions as a

170 A 2.0 A cocrystal structure revealed the inhibitor to be the acy

171 The resulting cocrystal structure revealed the specific ligand-protein

172 petitive with acetyl coenzyme A and an X-ray cocrystal structure reveals that binding is biased towar

173 A high-resolution 1.18- angstrom X-ray cocrystal structure shows that the compound binds to a w

174 The recent CcrM-DNA cocrystal structure shows the CcrM dimer disrupts four o

175 The cocrystal structure to 2.0-A resolution of this N-termin

176 We determine the acetylcholine-ELIC cocrystal structure to a 2.9-A resolution and find that

177 A ligand-bound cocrystal structure was determined which elucidated key

178 The Nampt-7 cocrystal structure was subsequently obtained and enable

179 derivative of 4-aminophenylalanine, and its cocrystal structure with gp120 revealed the cyclohexane

180 A cocrystal structure with one of these compounds and ATX

181 ty relationships and a high resolution X-ray cocrystal structure with West Nile virus protease provid

182 the first described potentiator-bound X-ray cocrystal structure within this class of ligand-gated io

183 In the AcrB/doxorubicin cocrystal structure, binding of three doxorubicin molecu

184 of the structural insights revealed by this cocrystal structure, optimization of the 7-dimethylamino

185 vinblastine C20' center depicted in an X-ray cocrystal structure, remarkably large C20' urea derivati

186 We also solved the peptide:alpha-Cbtx cocrystal structure, revealing that the peptide, althoug

187 yltransferase in Pseudomonas aeruginosa This cocrystal structure, together with the structure of free

188 developed a more potent analog and solved a cocrystal structure, which is the first crystal structur

189 previously published results and the RT-EFV cocrystal structure.

190 t halogen-peroxide interactions seen in each cocrystal structure.

191 obtain the first human PARG substrate-enzyme cocrystal structure.

192 N terminus of MEKK3, and determine a 2.35 A cocrystal structure.

193 ss spectrometry and kinetic studies and by a cocrystal structure.

194 Two LovC cocrystal structures and enzymological studies help eluc

195 Analyses of cocrystal structures and molecular dynamics simulations

196 Cocrystal structures and molecular dynamics simulations

197 Cocrystal structures at atomic resolution revealed that

198 Finally, on the basis of 11 cocrystal structures bound to CDK9/cyclin T or CDK2/cycl

199 Cocrystal structures corroborated the docking prediction

200 High-resolution cocrystal structures delineated a unique ligand-binding

201 ) and leveraging insights from several X-ray cocrystal structures during optimization efforts.

202 ular details of the interactions revealed by cocrystal structures efficiently describe the properties

203 Additionally, we obtained high-resolution cocrystal structures for a majority of the compounds.

204 del that was trained on all antibody-antigen cocrystal structures in the Protein Data Bank.

205 his observation can be rationalized based on cocrystal structures of (R)-4 and (R)-7 bound to acetylc

206 The cocrystal structures of (S)-37 and (R)-38 showed similar

207 l information derived from PI3K gamma-ligand cocrystal structures of 1 and 2 were used to design inhi

208 Cocrystal structures of 16 and 18 complexed with WDR5 pr

209 Cocrystal structures of 20by with both PARP-1 and PARP-2

210 X-ray cocrystal structures of 8 and 19 bound to the Jak2 kinas

211 We report the cocrystal structures of a computationally designed and e

212 he structure-activity relationship (SAR) and cocrystal structures of a series of Nek2 inhibitors deri

213 Analysis of the cocrystal structures of an initial lead 8 prompted us to

214 Here, we present several cocrystal structures of BjaI, a CoA-dependent LuxI homol

215 Novel cocrystal structures of BRD7 liganded with new and previ

216 tructure-based design was performed using 35 cocrystal structures of CDK2 liganded with distinct anal

217 enzymes efficiently remove NAD(+) caps, and cocrystal structures of DXO/Rai1 with 3'-NADP(+) illumin

218 Cocrystal structures of EphB3 in complex with two quinaz

219 Cocrystal structures of Escherichia coli RNA polymerase

220 The cocrystal structures of GLP and G9a in the complex with

221 We report here the first cocrystal structures of gyrase B bound to coumermycin A1

222 Here we present two cocrystal structures of human SerRS bound with tRNA(Sec)

223 tanding of these determinants, we determined cocrystal structures of Imatinib and Sorafenib with p38a

224 Subsequent hit-to-lead optimization, using cocrystal structures of inhibitors bound to Pseudomonas

225 Cocrystal structures of inhibitors with wild-type HIV-1

226 X-ray cocrystal structures of key compounds with XIAP BIR2 sug

227 We present cocrystal structures of KRIT1 with ICAP1 and ICAP1 with

228 Cocrystal structures of mesotrypsin with HAI2 and bikuni

229 We present cocrystal structures of murine TTLL6 bound to tetrahedra

230 hesis, structure-activity relationships, and cocrystal structures of novel derivatives of the competi

231 We also report the high-resolution X-ray cocrystal structures of NV 3CLpro-, poliovirus 3Cpro-, a

232 s conclusion is based on binding studies and cocrystal structures of PHD(UHRF1) bound to histone H3 p

233 Cocrystal structures of potent inhibitors with PvSHMT we

234 s are known to interact with CL, and several cocrystal structures of protein-CL complexes exist.

235 during our hit to lead campaign, along with cocrystal structures of representatives with Mtb TMK.

236 Cocrystal structures of several new derivatives helped i

237 structure-activity relationship studies, and cocrystal structures of the 18 hit compounds were analyz

238 Previous cocrystal structures of the 58-nucleotide GAC RNA bound

239 The X-ray cocrystal structures of the early lead compound 12 and c

240 Here, we report five cocrystal structures of the enzyme complexed with both a

241 We solved X-ray cocrystal structures of the highest affinity binders fro

242 Recently solved cocrystal structures of the MV attachment protein (hemag

243 Here we disclose the first high resolution cocrystal structures of the P. aeruginosa PBP3 with both

244 of individual residues and two 1.5 angstrom cocrystal structures of the tightest-binding mutants in

245 +) (1.7 A resolution), as well as four other cocrystal structures of thermostable PTDH and its varian

246 Cocrystal structures of these macrocyclic natural produc

247 transfer difference (STD) NMR and the first cocrystal structures of two potent in vitro inhibitors,

248 e apo crystal structure of WhiE ARO/CYC, and cocrystal structures of WhiE and TcmN ARO/CYCs bound wit

249 alytic cleft of all 1252 human kinase-ligand cocrystal structures present in the Protein Data Bank (P

250 iterative parallel synthesis guided by X-ray cocrystal structures resulted in rapid potency improveme

251 ce differences exceeding 50%, antibody-gp120 cocrystal structures reveal VRC01-class recognition to b

252 Cocrystal structures revealed 3 binds to an unexpected a

253 Intriguingly, cocrystal structures revealed an unexpected inverted bin

254 Cocrystal structures revealed binding modes of RVX-208 a

255 X-ray cocrystal structures revealed that the K9M residue of hi

256 dies reveal a nonlinear SAR for Nek2 and our cocrystal structures show that compounds in this series

257 Cocrystal structures show that, in addition to electrost

258 Cocrystal structures showed that PFI-1 acts as an acetyl

259 Cocrystal structures suggest that the orthologous part o

260 nes and related compounds in published X-ray cocrystal structures were analyzed.

261 High-resolution X-ray cocrystal structures were used to optimize the structure

262 1.35 A TAT cocrystal structures with bisubstrate analogs constrain

263 Cocrystal structures with H1 and H5 HAs reveal that the

264 Here, we describe the use of cocrystal structures with inhibitors and substrates, alo

265 re-based design was guided by several solved cocrystal structures with Mcl-1, leading to the developm

266 Five new cocrystal structures with PvSHMT were solved at 2.3-2.6

267 different conformations in their respective cocrystal structures with RNA polymerase, reflecting its

268 Comparison of cocrystal structures with structure-activity relationshi

269 In addition, auristatin cocrystal structures with tubulin are being presented th

270 f known TRK inhibitors and analysis of their cocrystal structures, (3) an overview of TRK clinical tr

271 with assay results, docking simulations, and cocrystal structures, a model for stereochemical control

272 Guided by X-ray cocrystal structures, fragment 1 was elaborated into a n

273 rom ATP to dTMP, was proposed based on X-ray cocrystal structures, homology models, and structure-act

274 imarily focused on obtaining ligand-receptor cocrystal structures, recent studies implicate an import

275 Guided by cocrystal structures, we elaborated arylsulfonyl fluorid

276 based drug design based on a number of X-ray cocrystal structures, we morphed this hit class into pot

277 series based on multiple ligand/KDM1A-CoRest cocrystal structures, which led to several extremely pot

278 unresolved in all five MeV H-head crystal or cocrystal structures.

279 s, which is stabilized by the L11 protein in cocrystal structures.

280 rationalized on the basis of multiple X-ray cocrystal structures.

281 m the first bona fide human immunoproteasome cocrystal structures.

282 nhibitors through the iterative use of X-ray cocrystal structures.

283 g into the previously disclosed 3-CRBN-GSPT1 cocrystal ternary complex.

284 emonstrating for the first time an energetic cocrystal that is less sensitive to impact than either o

285 by imaging in the microscope an amyloid-dye cocrystal that, upon excitation, converts light into mec

286 a strategy directed toward the design of CT cocrystals that allows us to introduce rotational dynami

287 between the building blocks leads to binary cocrystals that have alternating donors and acceptors ex

288 re we report a series of energetic-energetic cocrystals that incorporate the primary explosive diacet

289 rmolecular photoreaction to generate ternary cocrystals that results in release of entrapped solvent

290 g sensitivity, in the case of the DADP/TCTNB cocrystal, the high impact sensitivity of DADP is retain

291 In the enzyme-DNA cocrystal, the single catalytic site binds two magnesium

292 molecular dynamics at the atomistic scale in cocrystals, thereby displaying high permittivity.

293 The final form, a phosphoric acid cocrystal, was produced in high yield and purity and wit

294 Strong CT cocrystals were found to display a rigid supramolecular

295 Another brick in the wall: Porous ternary cocrystals were prepared by chiral recognition between o

296 ependent kinases (CDKs) 2, 5, and 9, and the cocrystal with CDK2/cyclin A2 revealed its binding in th

297 tion of an isocoumarin to generate a ternary cocrystal with cyclobutane molecules that support guest

298 to -18 degrees C), dibromobutadiyne can form cocrystals with oxalamide host molecules containing eith

299 The cocrystals with the bis(nitrile) oxalamide host undergo

300 ime-dependent noncompetitive inhibition, the cocrystal X-ray structure of 3 bound to a humanized vari