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

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3IN4	Bace1 with Compound 38 分子名称: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M. 登録日 2009-08-11 公開日 2010-01-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
3INH	Bace1 with the aminohydantoin Compound R-58 分子名称: (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-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 (1.8 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
3IN3	Bace1 with Compound 30 分子名称: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 著者 Olland, A.M. 登録日 2009-08-11 公開日 2010-01-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem., 18, 2010
3IVI	Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents 分子名称: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]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 (2.2 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
3K5C	Human BACE-1 complex with NB-216 分子名称: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 著者 Rondeau, J.-M. 登録日 2009-10-07 公開日 2010-03-02 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg.Med.Chem.Lett., 20, 2010
3K1W	New Classes of Potent and Bioavailable Human Renin Inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ... 著者 Prade, L. 登録日 2009-09-29 公開日 2010-03-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 New classes of potent and bioavailable human renin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
3K5G	Human bace-1 complex with bjc060 分子名称: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 著者 Rondeau, J.-M. 登録日 2009-10-07 公開日 2010-05-05 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3K5D	Crystal Structure of BACE-1 in complex with AHM178 分子名称: Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide 著者 Rondeau, J.-M. 登録日 2009-10-07 公開日 2010-05-05 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4R91	BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P, Caldwell, J.P, Strickland, C. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4OBZ	Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide 分子名称: 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 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 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 (2.9 Å) 主引用文献 Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
3HVG	Structure of bace (beta secretase) in Complex with EV0 分子名称: 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL 著者 Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. 登録日 2009-06-16 公開日 2009-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays Biochemistry, 48, 2009
3HW1	Structure of Bace (beta secretase) in complex with ligand EV2 分子名称: 3-pyrrolidin-1-ylquinoxalin-2-amine, Beta-secretase 1, GLYCEROL 著者 Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. 登録日 2009-06-17 公開日 2009-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays Biochemistry, 48, 2009
4PEP	THE MOLECULAR AND CRYSTAL STRUCTURES OF MONOCLINIC PORCINE PEPSIN REFINED AT 1.8 ANGSTROMS RESOLUTION 分子名称: PEPSIN 著者 Andreeva, N, Fedorov, A.A, Sielecki, A, James, M. 登録日 1989-12-18 公開日 1990-04-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Molecular and crystal structures of monoclinic porcine pepsin refined at 1.8 A resolution. J.Mol.Biol., 214, 1990
4R95	BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium 分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P, Strickland, C, Caldwell, J.P. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4R92	BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide 著者 Orth, P, Strickland, C, Caldwell, J.P. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4RCE	Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 分子名称: (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION 著者 Whittington, D.A, Long, A.M. 登録日 2014-09-15 公開日 2014-12-24 最終更新日 2015-01-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
3IXJ	Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor 分子名称: Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION 著者 Borkakoti, N, Lindberg, J, Nystrom, S. 登録日 2009-09-04 公開日 2010-03-02 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Design and Synthesis of Potent and Selective BACE-1 Inhibitors. J.Med.Chem., 53, 2010
3IXK	Potent beta-secretase 1 inhibitor 分子名称: Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-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 Borkakoti, N, Lindberg, J.D, Nystrom, S. 登録日 2009-09-04 公開日 2010-09-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. Eur.J.Med.Chem., 45, 2010
4RCD	Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor 分子名称: (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M. 登録日 2014-09-15 公開日 2015-01-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57, 2014
4R8Y	BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium 分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P, Caldwell, J.P, Strickland, C. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
3K5F	Human BACE-1 COMPLEX WITH AYH011 分子名称: (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 著者 Rondeau, J.-M. 登録日 2009-10-07 公開日 2010-05-05 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
4R5N	8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors 分子名称: (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION 著者 Vigers, G.P.A, Smith, D. 登録日 2014-08-21 公開日 2014-12-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
4R93	BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium 分子名称: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P, Strickland, C, Caldwell, J.P. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2014-12-17 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4RCF	Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49 分子名称: (4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M. 登録日 2014-09-15 公開日 2014-12-24 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
4TRW	Structure of BACE1 complex with a syn-HEA-type inhibitor 分子名称: Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide 著者 Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. 登録日 2014-06-18 公開日 2015-07-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015

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