5JOD
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![BU of 5jod by Molmil](/molmil-images/mine/5jod) | Structure of proplasmepsin IV from Plasmodium falciparum | 分子名称: | GLYCEROL, Proplasmepsin IV | 著者 | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | 登録日 | 2016-05-02 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.528 Å) | 主引用文献 | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr.,Sect.F, 72, 2016
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5J25
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![BU of 5j25 by Molmil](/molmil-images/mine/5j25) | |
5ISK
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![BU of 5isk by Molmil](/molmil-images/mine/5isk) | |
5ISJ
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![BU of 5isj by Molmil](/molmil-images/mine/5isj) | |
5IS4
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![BU of 5is4 by Molmil](/molmil-images/mine/5is4) | |
5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | 分子名称: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | 著者 | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | 登録日 | 2016-02-24 | 公開日 | 2016-03-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | 主引用文献 | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5I70
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5I3Y
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![BU of 5i3y by Molmil](/molmil-images/mine/5i3y) | |
5I3X
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![BU of 5i3x by Molmil](/molmil-images/mine/5i3x) | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | 分子名称: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2016-02-11 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5I3W
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![BU of 5i3w by Molmil](/molmil-images/mine/5i3w) | |
5I3V
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![BU of 5i3v by Molmil](/molmil-images/mine/5i3v) | |
5HU1
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![BU of 5hu1 by Molmil](/molmil-images/mine/5hu1) | BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide | 分子名称: | Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | 著者 | Orth, P. | 登録日 | 2016-01-27 | 公開日 | 2016-11-09 | 最終更新日 | 2017-01-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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5HU0
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5HTZ
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![BU of 5htz by Molmil](/molmil-images/mine/5htz) | BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide | 分子名称: | (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 | 著者 | Orth, P. | 登録日 | 2016-01-27 | 公開日 | 2016-11-09 | 最終更新日 | 2017-01-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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5HE7
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![BU of 5he7 by Molmil](/molmil-images/mine/5he7) | BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | 分子名称: | (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1 | 著者 | Orth, P. | 登録日 | 2016-01-05 | 公開日 | 2016-03-16 | 最終更新日 | 2016-04-27 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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5HE5
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5HE4
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![BU of 5he4 by Molmil](/molmil-images/mine/5he4) | BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | 分子名称: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P. | 登録日 | 2016-01-05 | 公開日 | 2016-03-16 | 最終更新日 | 2016-04-27 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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5HDZ
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5HDX
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![BU of 5hdx by Molmil](/molmil-images/mine/5hdx) | |
5HDV
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5HDU
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5HD0
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5HCT
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![BU of 5hct by Molmil](/molmil-images/mine/5hct) | Endothiapepsin in complex with biacylhydrazone | 分子名称: | 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ... | 著者 | Radeva, N, Heine, A, Klebe, G. | 登録日 | 2016-01-04 | 公開日 | 2016-07-20 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry. Angew.Chem.Int.Ed.Engl., 55, 2016
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5HCO
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5F01
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![BU of 5f01 by Molmil](/molmil-images/mine/5f01) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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