1APF
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![BU of 1apf by Molmil](/molmil-images/mine/1apf) | ANTHOPLEURIN-B, NMR, 20 STRUCTURES | 分子名称: | ANTHOPLEURIN-B | 著者 | Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S. | 登録日 | 1995-05-30 | 公開日 | 1996-07-11 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A. Structure, 3, 1995
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1RON
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1AHL
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![BU of 1ahl by Molmil](/molmil-images/mine/1ahl) | ANTHOPLEURIN-A,NMR, 20 STRUCTURES | 分子名称: | ANTHOPLEURIN-A | 著者 | Pallaghy, P.K, Scanlon, M.J, Monks, S.A, Norton, R.S. | 登録日 | 1994-10-28 | 公開日 | 1995-11-14 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A. Biochemistry, 34, 1995
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1ZEC
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![BU of 1zec by Molmil](/molmil-images/mine/1zec) | NMR Solution structure of NEF1-25, 20 structures | 分子名称: | NEF1-25 | 著者 | Barnham, K.J, Monks, S.A, Hinds, M.G, Azad, A.A, Norton, R.S. | 登録日 | 1996-12-18 | 公開日 | 1998-01-07 | 最終更新日 | 2024-06-05 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a polypeptide from the N terminus of the HIV protein Nef. Biochemistry, 36, 1997
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1QA5
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![BU of 1qa5 by Molmil](/molmil-images/mine/1qa5) | |
1QA4
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1D1F
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1D1E
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![BU of 1d1e by Molmil](/molmil-images/mine/1d1e) | |
1D0W
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4X7I
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![BU of 4x7i by Molmil](/molmil-images/mine/4x7i) | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | 分子名称: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | 著者 | Timm, D.E. | 登録日 | 2014-12-09 | 公開日 | 2014-12-24 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci., 35, 2015
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7MYR
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![BU of 7myr by Molmil](/molmil-images/mine/7myr) | BACE-1 in complex with compound #18 | 分子名称: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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7MYU
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![BU of 7myu by Molmil](/molmil-images/mine/7myu) | BACE-1 in complex with compound #22 | 分子名称: | Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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7MYI
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![BU of 7myi by Molmil](/molmil-images/mine/7myi) | BACE-1 in complex with compound #6 | 分子名称: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | 登録日 | 2021-05-21 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J.Med.Chem., 64, 2021
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6UWP
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![BU of 6uwp by Molmil](/molmil-images/mine/6uwp) | BACE-1 in complex with compound #32 | 分子名称: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Timm, D.E. | 登録日 | 2019-11-05 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6UVP
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![BU of 6uvp by Molmil](/molmil-images/mine/6uvp) | BACE-1 in complex with compound #3 | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | 著者 | Hendle, J, Timm, D.E. | 登録日 | 2019-11-04 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6UWV
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![BU of 6uwv by Molmil](/molmil-images/mine/6uwv) | BACE-1 in complex with compound #34 | 分子名称: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Stout, S.L. | 登録日 | 2019-11-05 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6UVY
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![BU of 6uvy by Molmil](/molmil-images/mine/6uvy) | BACE-1 in complex with compound #18 | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Timm, D.E. | 登録日 | 2019-11-04 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6UVV
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![BU of 6uvv by Molmil](/molmil-images/mine/6uvv) | BACE-1 in complex with compound #17 | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Hendle, J, Timm, D.E. | 登録日 | 2019-11-04 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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4ZSM
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![BU of 4zsm by Molmil](/molmil-images/mine/4zsm) | BACE crystal structure with bicyclic aminothiazine fragment | 分子名称: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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4YBI
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![BU of 4ybi by Molmil](/molmil-images/mine/4ybi) | Crystal structure of BACE with amino thiazine inhibitor LY2811376 | 分子名称: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2015-02-18 | 公開日 | 2015-04-01 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor. J.Neurosci., 31, 2011
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4ZSR
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![BU of 4zsr by Molmil](/molmil-images/mine/4zsr) | BACE crystal structure with tricyclic aminothiazine inhibitor | 分子名称: | Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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4ZSP
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![BU of 4zsp by Molmil](/molmil-images/mine/4zsp) | BACE crystal structure with bicyclic aminothiazine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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4ZSQ
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![BU of 4zsq by Molmil](/molmil-images/mine/4zsq) | BACE crystal structure with tricyclic aminothiazine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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