3W2P
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![BU of 3w2p by Molmil](/molmil-images/mine/3w2p) | EGFR Kinase domain T790M/L858R mutant with compound 2 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2R
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![BU of 3w2r by Molmil](/molmil-images/mine/3w2r) | EGFR Kinase domain T790M/L858R mutant with compound 4 | 分子名称: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2Q
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![BU of 3w2q by Molmil](/molmil-images/mine/3w2q) | EGFR kinase domain T790M/L858R mutant with HKI-272 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2S
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![BU of 3w2s by Molmil](/molmil-images/mine/3w2s) | EGFR kinase domain with compound4 | 分子名称: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2O
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![BU of 3w2o by Molmil](/molmil-images/mine/3w2o) | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3WIY
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![BU of 3wiy by Molmil](/molmil-images/mine/3wiy) | Crystal structure of Mcl-1 in complex with compound 10 | 分子名称: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | 登録日 | 2013-09-26 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
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3WIX
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![BU of 3wix by Molmil](/molmil-images/mine/3wix) | Crystal structure of Mcl-1 in complex with compound 4 | 分子名称: | 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | 登録日 | 2013-09-26 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
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3WIZ
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![BU of 3wiz by Molmil](/molmil-images/mine/3wiz) | Crystal structure of Bcl-xL in complex with compound 10 | 分子名称: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | 登録日 | 2013-09-26 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
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5B4O
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![BU of 5b4o by Molmil](/molmil-images/mine/5b4o) | Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | 分子名称: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | 著者 | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | 登録日 | 2016-04-07 | 公開日 | 2016-04-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression Chem. Biol., 17, 2010
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7CN0
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![BU of 7cn0 by Molmil](/molmil-images/mine/7cn0) | Cryo-EM structure of K+-bound hERG channel | 分子名称: | POTASSIUM ION, potassium channel 1 | 著者 | Asai, T, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Senda, T, Murata, T. | 登録日 | 2020-07-29 | 公開日 | 2021-01-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM Structure of K + -Bound hERG Channel Complexed with the Blocker Astemizole. Structure, 29, 2021
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7CN1
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![BU of 7cn1 by Molmil](/molmil-images/mine/7cn1) | Cryo-EM structure of K+-bound hERG channel in the presence of astemizole | 分子名称: | POTASSIUM ION, potassium channel | 著者 | Asai, T, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Senda, T, Murata, T. | 登録日 | 2020-07-29 | 公開日 | 2021-01-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM Structure of K + -Bound hERG Channel Complexed with the Blocker Astemizole. Structure, 29, 2021
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7E0G
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![BU of 7e0g by Molmil](/molmil-images/mine/7e0g) | |
4HBP
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![BU of 4hbp by Molmil](/molmil-images/mine/4hbp) | Crystal Structure of FAAH in complex with inhibitor | 分子名称: | 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide, Fatty-acid amide hydrolase 1 | 著者 | Behnke, C, Skene, R.J. | 登録日 | 2012-09-28 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors. Bioorg.Med.Chem., 21, 2013
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7F3O
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![BU of 7f3o by Molmil](/molmil-images/mine/7f3o) | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | 分子名称: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2021-06-16 | 公開日 | 2021-07-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement. Sci Rep, 11, 2021
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5ZG3
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![BU of 5zg3 by Molmil](/molmil-images/mine/5zg3) | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137 | 分子名称: | 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2018-03-07 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG1
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![BU of 5zg1 by Molmil](/molmil-images/mine/5zg1) | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2 | 分子名称: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2018-03-07 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG2
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![BU of 5zg2 by Molmil](/molmil-images/mine/5zg2) | Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2 | 分子名称: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2018-03-07 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG0
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![BU of 5zg0 by Molmil](/molmil-images/mine/5zg0) | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1 | 分子名称: | 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2018-03-07 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5YBF
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![BU of 5ybf by Molmil](/molmil-images/mine/5ybf) | Crystal structure of the GluA2o LBD in complex with glutamate and HBT1 | 分子名称: | 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2017-09-04 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production. J. Pharmacol. Exp. Ther., 364, 2018
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5YBG
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![BU of 5ybg by Molmil](/molmil-images/mine/5ybg) | Crystal structure of the GluA2o LBD in complex with glutamate and LY451395 | 分子名称: | ACETATE ION, GLUTAMIC ACID, GLYCEROL, ... | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | 登録日 | 2017-09-04 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production. J. Pharmacol. Exp. Ther., 364, 2018
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