6ETF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6etf by Molmil](/molmil-images/mine/6etf) | |
6ETH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eth by Molmil](/molmil-images/mine/6eth) | |
5YBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5YBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6ETD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6etd by Molmil](/molmil-images/mine/6etd) | |
6ETO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eto by Molmil](/molmil-images/mine/6eto) | |
5ZG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6GAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gax by Molmil](/molmil-images/mine/6gax) | |
3EMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3emg by Molmil](/molmil-images/mine/3emg) | |
6GBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gbf by Molmil](/molmil-images/mine/6gbf) | |
5KOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5koq by Molmil](/molmil-images/mine/5koq) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | 登録日 | 2016-07-01 | 公開日 | 2016-11-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
|
|
6GB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gb4 by Molmil](/molmil-images/mine/6gb4) | |
5KOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kos by Molmil](/molmil-images/mine/5kos) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | 登録日 | 2016-07-01 | 公開日 | 2016-11-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor. Acs Med.Chem.Lett., 7, 2016
|
|
5ZG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5ZG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6GB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gb0 by Molmil](/molmil-images/mine/6gb0) | |
6GBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gbc by Molmil](/molmil-images/mine/6gbc) | |
5ZG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6GB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gb9 by Molmil](/molmil-images/mine/6gb9) | |
5KOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kot by Molmil](/molmil-images/mine/5kot) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 分子名称: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | 登録日 | 2016-07-01 | 公開日 | 2017-07-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
|
|
5ZUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zun by Molmil](/molmil-images/mine/5zun) | Crystal structure of human monoacylglycerol lipase in complex with compound 3l | 分子名称: | (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Sogabe, S, Zama, Y, Lane, W, Snell, G. | 登録日 | 2018-05-08 | 公開日 | 2018-10-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors J. Med. Chem., 61, 2018
|
|
3FKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fkn by Molmil](/molmil-images/mine/3fkn) | P38 kinase crystal structure in complex with RO7125 | 分子名称: | 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 | 著者 | Kuglstatter, A, Ghate, M. | 登録日 | 2008-12-17 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
|
|
3FI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fi4 by Molmil](/molmil-images/mine/3fi4) | P38 kinase crystal structure in complex with RO4499 | 分子名称: | (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14 | 著者 | Kuglstatter, A, Knapp, M, Dunten, P. | 登録日 | 2008-12-10 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
|
|
3FKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fkl by Molmil](/molmil-images/mine/3fkl) | P38 kinase crystal structure in complex with RO9552 | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide | 著者 | Kuglstatter, A, Ghate, M. | 登録日 | 2008-12-17 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
|
|
3FKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fko by Molmil](/molmil-images/mine/3fko) | |