3OAG
 
 | | Design and optimization of new piperidines as renin inhibitors | | 分子名称: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Prade, L. | | 登録日 | 2010-08-05 | | 公開日 | 2010-11-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OAD
 | | Design and optimization of new piperidines as renin inhibitors | | 分子名称: | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Prade, L. | | 登録日 | 2010-08-05 | | 公開日 | 2010-11-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3O9L
 | | Design and optimisation of new piperidines as renin inhibitors | | 分子名称: | (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A. | | 登録日 | 2010-08-04 | | 公開日 | 2011-03-02 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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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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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 | 2023-09-06 | | 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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3MSL
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3MSK
 | | Fragment Based Discovery and Optimisation of BACE-1 Inhibitors | | 分子名称: | 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. | | 登録日 | 2010-04-29 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3MSJ
 | | Structure of bace (beta secretase) in complex with inhibitor | | 分子名称: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | | 著者 | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | | 登録日 | 2010-04-29 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3LZY
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3LPK
 | | Structure of BACE Bound to SCH747123 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3LPJ
 | | Structure of BACE Bound to SCH743641 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3LPI
 | | Structure of BACE Bound to SCH745132 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2010-02-05 | | 公開日 | 2010-04-14 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3LNK
 | | Structure of BACE bound to SCH743813 | | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Orth, P, Cumming, J. | | 登録日 | 2010-02-02 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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3LIZ
 | | crystal structure of bla g 2 complexed with Fab 4C3 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ... | | 著者 | Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A. | | 登録日 | 2010-01-25 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
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3LHG
 | | Bace1 in complex with the aminohydantoin Compound 4g | | 分子名称: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | 著者 | Olland, A.M. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3L5F
 | | Structure of BACE Bound to SCH736201 | | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5E
 | | Structure of BACE Bound to SCH736062 | | 分子名称: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5D
 | | Structure of BACE Bound to SCH723873 | | 分子名称: | 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5C
 | | Structure of BACE Bound to SCH723871 | | 分子名称: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5B
 | | Structure of BACE Bound to SCH713601 | | 分子名称: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L59
 | | Structure of BACE Bound to SCH710413 | | 分子名称: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L58
 | | Structure of BACE Bound to SCH589432 | | 分子名称: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Strickland, C, Zhu, Z. | | 登録日 | 2009-12-21 | | 公開日 | 2010-02-16 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L3A
 | | Bace-1 with the aminopyridine Compound 32 | | 分子名称: | 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1 | | 著者 | Olland, A.M, Chopra, R. | | 登録日 | 2009-12-16 | | 公開日 | 2010-04-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.362 Å) | | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3L38
 | | Bace1 in complex with the aminopyridine Compound 44 | | 分子名称: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | | 著者 | Olland, A.M, Chopra, R. | | 登録日 | 2009-12-16 | | 公開日 | 2010-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3KYR
 | | Bace-1 in complex with a norstatine type inhibitor | | 分子名称: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | | 著者 | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | | 登録日 | 2009-12-07 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
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