PDB: 1514 件ウェブページステータス検索Chemie searchBIRD

---

2ZJH	Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide 分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide 著者 Randal, M, Lam, M.B, Romanowski, M.J. 登録日 2008-03-07 公開日 2009-01-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
2XFK	Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide 分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE 著者 Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. 登録日 2010-05-24 公開日 2010-07-07 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
2XFJ	Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide 分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide 著者 Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. 登録日 2010-05-24 公開日 2010-07-07 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
2XFI	Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide 分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE 著者 Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. 登録日 2010-05-24 公開日 2010-07-07 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
2ZJK	Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide 分子名称: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1 著者 Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. 登録日 2008-03-07 公開日 2009-01-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
2ZHR	Crystal structure of BACE1 in complex with OM99-2 at pH 5.0 分子名称: Beta-secretase 1, inhibitor OM99-2 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production Mol.Cell.Biol., 28, 2008
3APR	BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION 分子名称: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN 著者 Suguna, K, Davies, D.R. 登録日 1987-06-22 公開日 1988-01-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action. Proc.Natl.Acad.Sci.USA, 84, 1987
2ZJJ	Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide 分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1 著者 Randal, M, Lam, M.B, Romanowski, M.J. 登録日 2008-03-07 公開日 2009-01-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
2ZE1	X-ray structure of Bace-1 in complex with compound 6g 分子名称: 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 著者 Chopra, R, Olland, A. 登録日 2007-12-05 公開日 2008-12-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
3APP	STRUCTURE AND REFINEMENT OF PENICILLOPEPSIN AT 1.8 ANGSTROMS RESOLUTION 分子名称: PENICILLOPEPSIN 著者 Sielecki, A.R, James, M.N.G. 登録日 1990-11-27 公開日 1991-01-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and refinement of penicillopepsin at 1.8 A resolution. J.Mol.Biol., 163, 1983
3BUH	BACE-1 complexed with compound 4 分子名称: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1 著者 Kuglstatter, A, Hennig, M. 登録日 2008-01-02 公開日 2008-03-11 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
3GW5	Crystal structure of human renin complexed with a novel inhibitor 分子名称: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Wu, Z, McKeever, B.M. 登録日 2009-03-31 公開日 2009-06-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg.Med.Chem.Lett., 19, 2009
4OD9	Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... 著者 Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. 登録日 2014-01-10 公開日 2014-08-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
3H0B	Discovery of aminoheterocycles as a novel beta-secretase inhibitor class 分子名称: 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine, Beta-secretase 1 著者 Allison, T.J. 登録日 2009-04-08 公開日 2009-07-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1. Bioorg.Med.Chem.Lett., 19, 2009
4OC6	Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... 著者 Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. 登録日 2014-01-08 公開日 2014-08-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.64 Å) 主引用文献 Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4PYV	Crystal structure of renin in complex with compound4 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ... 著者 Ostermann, N, Zink, F. 登録日 2014-03-28 公開日 2014-10-08 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
4Q1N	Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors 分子名称: (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. 登録日 2014-04-04 公開日 2014-08-06 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
4PZX	Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors 分子名称: (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A. 登録日 2014-03-31 公開日 2014-05-14 最終更新日 2014-10-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
3I25	Potent Beta-Secretase 1 hydroxyethylene Inhibitor 分子名称: Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide 著者 Lindberg, J.D, Borkakoti, N, Nystrom, S. 登録日 2009-06-29 公開日 2010-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
3IND	Bace1 with the aminohydantoin Compound 29 分子名称: (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M, Chopra, R. 登録日 2009-08-12 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.246 Å) 主引用文献 Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
3IVH	Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents 分子名称: Beta-secretase 1, N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide 著者 Pan, H. 登録日 2009-09-01 公開日 2010-01-05 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg.Med.Chem.Lett., 19, 2009
3INE	Bace1 with the aminohydantoin Compound S-34 分子名称: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M, Chopra, R. 登録日 2009-08-12 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.996 Å) 主引用文献 Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
3IGB	Bace-1 with Compound 3 分子名称: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1 著者 Olland, A.M. 登録日 2009-07-27 公開日 2009-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.238 Å) 主引用文献 Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors J.Med.Chem., 52, 2009
3INF	Bace1 with the aminohydantoin Compound 37 分子名称: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M, Chopra, R. 登録日 2009-08-12 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
4PZW	Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors 分子名称: (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A. 登録日 2014-03-31 公開日 2014-05-14 最終更新日 2014-10-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014

<6789101112131415161718192021>