3NSH
 
 | | BACE-1 in complex with ELN475957 | | 分子名称: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide | | 著者 | Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N. | | 登録日 | 2010-07-01 | | 公開日 | 2010-09-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.
Bioorg.Med.Chem.Lett., 20, 2010
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4I1F
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4I0Z
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | 分子名称: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I1H
 | | Structure of Parkin E3 ligase | | 分子名称: | E3 ubiquitin-protein ligase parkin, ZINC ION | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-20 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
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4I10
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | 分子名称: | 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0D
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4I12
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | 分子名称: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0G
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4HZT
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | 分子名称: | 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION | | 著者 | Yao, N, Brecht, E. | | 登録日 | 2012-11-15 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I1C
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | 分子名称: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | | 登録日 | 2012-11-20 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0E
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | 分子名称: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | 著者 | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0F
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2ZLF
 | | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | | 分子名称: | FTLDADF, Ribonucleoside-diphosphate reductase large chain 1 | | 著者 | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | | 登録日 | 2008-04-09 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
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2ZLG
 | | The Structual Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | | 分子名称: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid, GLYCEROL, Ribonucleoside-diphosphate reductase large chain 1 | | 著者 | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | | 登録日 | 2008-04-09 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore
J.Med.Chem., 51, 2008
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3N4L
 | | BACE-1 in complex with ELN380842 | | 分子名称: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | | 著者 | Yao, N.H. | | 登録日 | 2010-05-21 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.
Bioorg.Med.Chem.Lett., 20, 2010
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4I0J
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4I0H
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4I0I
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2R0Z
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2R0W
 | | PFA2 FAB complexed with Abeta1-8 | | 分子名称: | Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ... | | 著者 | Gardberg, A.S, Dealwis, C. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-16 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | | 主引用文献 | Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2IQA
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2IPT
 | | PFA1 Fab Fragment | | 分子名称: | ACETAMIDE, IgG2a Fab fragment Heavy Chain, IgG2a Fab fragment Light Chain Kappa | | 著者 | Gardberg, A.S, Dealwis, C. | | 登録日 | 2006-10-12 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2IQ9
 | | PFA2 FAB fragment, triclinic apo form | | 分子名称: | ACETAMIDE, IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain | | 著者 | Gardberg, A.S, Dealwis, C. | | 登録日 | 2006-10-13 | | 公開日 | 2007-10-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2IPU
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