PDB: 1562 件ウェブページステータス検索Chemie searchBIRD

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5TMG	Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... 著者 Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. 登録日 2016-10-12 公開日 2017-10-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor To be published
5T1U	Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality 分子名称: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, 1,2-ETHANEDIOL, Beta-secretase 1, ... 著者 Parris, K.D, Vajdos, F. 登録日 2016-08-22 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
5SY2	Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide, ... 著者 Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. 登録日 2016-08-10 公開日 2016-11-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
5UYU	Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 分子名称: (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M, Sickmier, E.A. 登録日 2017-02-24 公開日 2017-05-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D. Medchemcomm, 8, 2017
5VPM	Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, SULFATE ION, ... 著者 Concha, N, Zhao, B. 登録日 2017-05-05 公開日 2017-10-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg. Med. Chem. Lett., 27, 2017
5VRP	Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, SULFATE ION, ... 著者 Concha, N, Zhao, B. 登録日 2017-05-11 公開日 2017-10-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.22 Å) 主引用文献 Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg. Med. Chem. Lett., 27, 2017
2ZHV	Crystal structure of BACE1 at pH 7.0 分子名称: Beta-secretase 1 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.85 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
2ZHU	Crystal structure of BACE1 at pH 5.0 分子名称: Beta-secretase 1 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 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
2ZHS	Crystal structure of BACE1 at pH 4.0 分子名称: Beta-secretase 1 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.7 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
2ZDZ	X-ray structure of Bace-1 in complex with compound 3.b.10 分子名称: Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide 著者 Chopra, R, Olland, A. 登録日 2007-12-04 公開日 2008-12-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (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
2ZJM	Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide 分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide 著者 Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K. 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 (1.9 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
2ZJL	Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide 分子名称: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide 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 (2.1 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
2ZJI	Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide 分子名称: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-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 (2.3 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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
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 2024-10-09 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
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
2ZJN	Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide 分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide 著者 Randal, M, Lam, M.B, Fahr, B.T, 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 (2.7 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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
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
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
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
2ZHT	Crystal structure of BACE1 at pH 4.5 分子名称: Beta-secretase 1 著者 Shimizu, H, Nukina, N. 登録日 2008-02-08 公開日 2008-04-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.35 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
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

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