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
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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
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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
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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
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3F9Q
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3FNT
 | | Crystal structure of pepstatin A bound histo-aspartic protease (HAP) from Plasmodium falciparum | | 分子名称: | 1,2-ETHANEDIOL, HAP protein, Inhibitor, ... | | 著者 | Bhaumik, P, Gustchina, A, Wlodawer, A. | | 登録日 | 2008-12-26 | | 公開日 | 2009-05-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal structures of the histo-aspartic protease (HAP) from plasmodium falciparum.
J.Mol.Biol., 388, 2009
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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
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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
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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
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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
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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
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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
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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
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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
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2ER9
 | | X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES. | | 分子名称: | ENDOTHIAPEPSIN, L363,564 | | 著者 | Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L. | | 登録日 | 1990-10-20 | | 公開日 | 1991-01-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
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2ER7
 | | X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION | | 分子名称: | ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN | | 著者 | Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L. | | 登録日 | 1990-11-12 | | 公開日 | 1991-01-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
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2ER6
 | | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin. | | 分子名称: | ENDOTHIAPEPSIN, H-256 peptide | | 著者 | Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L. | | 登録日 | 1990-10-13 | | 公開日 | 1991-01-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
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2ER0
 | | X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES | | 分子名称: | ENDOTHIAPEPSIN, L364,099 | | 著者 | Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L. | | 登録日 | 1990-10-20 | | 公開日 | 1991-01-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | 分子名称: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | 著者 | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | 登録日 | 2005-12-14 | | 公開日 | 2006-01-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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2F3E
 | | Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Rondeau, J.-M. | | 登録日 | 2005-11-21 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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2G1Y
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin | | 著者 | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | 登録日 | 2006-02-15 | | 公開日 | 2006-06-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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2G1R
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin | | 著者 | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | 登録日 | 2006-02-14 | | 公開日 | 2006-06-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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2G94
 | | Crystal structure of beta-secretase bound to a potent and highly selective inhibitor. | | 分子名称: | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | | 著者 | Hong, L, Ghosh, A, Tang, J. | | 登録日 | 2006-03-05 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
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2G1O
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2G26
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | 分子名称: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | | 著者 | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | 登録日 | 2006-02-15 | | 公開日 | 2006-06-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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