6CKX
 
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5T4S
 | | Novel Approach of Fragment-Based Lead Discovery applied to Renin Inhibitors | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine, ... | | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Oki, H, Sang, B.C, Lane, W. | | 登録日 | 2016-08-30 | | 公開日 | 2016-10-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Novel approach of fragment-based lead discovery applied to renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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1GSH
 | | STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5 | | 分子名称: | GLUTATHIONE BIOSYNTHETIC LIGASE | | 著者 | Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J. | | 登録日 | 1995-05-16 | | 公開日 | 1996-07-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
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1GSA
 | | STRUCTURE OF GLUTATHIONE SYNTHETASE COMPLEXED WITH ADP AND GLUTATHIONE | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLUTATHIONE, GLUTATHIONE SYNTHETASE, ... | | 著者 | Hara, T, Kato, H, Nishioka, T, Katsube, Y, Oda, J. | | 登録日 | 1995-06-08 | | 公開日 | 1996-06-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 A resolution.
Biochemistry, 35, 1996
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8JYQ
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8JYR
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8JF5
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440 | | 分子名称: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Fukushima, H, Machida, T, Yamashita, S, Suzuki, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
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7YTB
 | | Crystal structure of Kin4B8 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL | | 著者 | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | | 登録日 | 2022-08-14 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
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7ZY3
 | | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | | 登録日 | 2022-05-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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8A2P
 | | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | | 分子名称: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | 著者 | Moraes, I, Kwan, T.O.C, Axford, D. | | 登録日 | 2022-06-06 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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8A2O
 | | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | 著者 | Moraes, I, Kwan, T.O.C, Axford, D. | | 登録日 | 2022-06-06 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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3RCD
 | | HER2 Kinase Domain Complexed with TAK-285 | | 分子名称: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2 | | 著者 | Aertgeerts, K, Skene, R, Sogabe, S. | | 登録日 | 2011-03-30 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
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8H1J
 | | Cryo-EM structure of the TnpB-omegaRNA-target DNA ternary complex | | 分子名称: | Non-target strand, RNA-guided DNA endonuclease TnpB, Target strand, ... | | 著者 | Nakagawa, R, Hirano, H, Omura, S, Nureki, O. | | 登録日 | 2022-10-03 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Cryo-EM structure of the transposon-associated TnpB enzyme.
Nature, 616, 2023
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8I2Z
 | | Cryo-EM structure of the zeaxanthin-bound kin4B8 | | 分子名称: | RETINAL, Xanthorhodopsin, Zeaxanthin | | 著者 | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | | 登録日 | 2023-01-15 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
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3GB2
 | | GSK3beta inhibitor complex | | 分子名称: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | | 著者 | Mol, C.D. | | 登録日 | 2009-02-18 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
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7F8K
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5WR2
 | | Thermolysin, SFX liganded form with oil-based carrier | | 分子名称: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | | 著者 | Kunishima, N, Naitow, H, Matsuura, Y. | | 登録日 | 2016-11-29 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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5WR4
 | | Thermolysin, SFX unliganded form with oil-based carrier | | 分子名称: | CALCIUM ION, Thermolysin, ZINC ION | | 著者 | Kunishima, N, Naitow, H, Matsuura, Y. | | 登録日 | 2016-11-29 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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5WR5
 | | Thermolysin, liganded form with cryo condition 1 | | 分子名称: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ... | | 著者 | Kunishima, N, Naitow, H, Matsuura, Y. | | 登録日 | 2016-11-29 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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5WR3
 | | Thermolysin, SFX liganded form with water-based carrier | | 分子名称: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | | 著者 | Kunishima, N, Naitow, H, Matsuura, Y. | | 登録日 | 2016-11-29 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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5WR6
 | | Thermolysin, liganded form with cryo condition 2 | | 分子名称: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | | 著者 | Kunishima, N, Naitow, H, Matsuura, Y. | | 登録日 | 2016-11-29 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
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6FA1
 | | Antibody derived (Abd-4) small molecule binding to KRAS. | | 分子名称: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | 登録日 | 2017-12-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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3F7Z
 | | X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor | | 分子名称: | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | | 著者 | Mol, C.D, Dougan, D.R. | | 登録日 | 2008-11-10 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
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3F88
 | | glycogen synthase Kinase 3beta inhibitor complex | | 分子名称: | 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta | | 著者 | Mol, C.D, Dougan, D.R. | | 登録日 | 2008-11-11 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
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5ZF0
 | | X-ray Structure of the Electron Transfer Complex between Ferredoxin and Photosystem I | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Kubota-Kawai, H, Mutoh, R, Shinmura, K, Setif, P, Nowaczyk, M, Roegner, M, Ikegami, T, Tanaka, T, Kurisu, G. | | 登録日 | 2018-03-01 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | X-ray structure of an asymmetrical trimeric ferredoxin-photosystem I complex
Nat Plants, 4, 2018
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