2HIZ
 
 | | Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor | | 分子名称: | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE, Beta-secretase 1, PHOSPHATE ION | | 著者 | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | | 登録日 | 2006-06-29 | | 公開日 | 2007-01-23 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design of potent inhibitors of human beta-secretase. Part 1.
Bioorg.Med.Chem.Lett., 17, 2007
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2IGX
 | | Achiral, Cheap and Potent Inhibitors of Plasmepsins II | | 分子名称: | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE, Plasmepsin-2 | | 著者 | Prade, L. | | 登録日 | 2006-09-25 | | 公開日 | 2006-11-28 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
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2IKO
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2JXR
 | | STRUCTURE OF YEAST PROTEINASE A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ... | | 著者 | Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L. | | 登録日 | 1997-04-24 | | 公開日 | 1997-10-29 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae.
J.Mol.Biol., 267, 1997
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2IGY
 | | Achiral, Cheap and Potent Inhibitors of Plasmepsins II | | 分子名称: | N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE, Plasmepsin-2 | | 著者 | Prade, L. | | 登録日 | 2006-09-25 | | 公開日 | 2006-11-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
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2JJJ
 | | Endothiapepsin in complex with a gem-diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-09 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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2JJI
 | | Endothiapepsin in complex with a gem-diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-09 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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2I4Q
 | | Human renin/PF02342674 complex | | 分子名称: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin | | 著者 | Holsworth, D.D, Jalaie, M, Zhang, E, Mcconnell, P, Mochalkin, I, Finzel, B.C. | | 登録日 | 2006-08-22 | | 公開日 | 2006-10-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Bioorg.Med.Chem., 15, 2007
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2IQG
 | | Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE) | | 分子名称: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | 著者 | Benson, T.E, Woods, D.D, Prince, D.B, Tomasselli, A.G, Emmons, T.L. | | 登録日 | 2006-10-13 | | 公開日 | 2007-02-27 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase.
J.Med.Chem., 50, 2007
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2IRZ
 | | Crystal structure of human Beta-secretase complexed with inhibitor | | 分子名称: | 3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE, Beta-secretase 1 | | 著者 | Munshi, S. | | 登録日 | 2006-10-16 | | 公開日 | 2006-11-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1).
J.Med.Chem., 49, 2006
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2HM1
 | | Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2) | | 分子名称: | Beta-secretase 1, N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | | 著者 | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | | 登録日 | 2006-07-10 | | 公開日 | 2007-01-23 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design of potent inhibitors of human beta-secretase. Part 2.
Bioorg.Med.Chem.Lett., 17, 2007
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2H6T
 | | Secreted aspartic proteinase (Sap) 3 from Candida albicans complexed with pepstatin A | | 分子名称: | Candidapepsin-3, ZINC ION, pepstatin A | | 著者 | Ruge, E, Borelli, C, Maskos, K, Huber, R. | | 登録日 | 2006-06-01 | | 公開日 | 2007-06-12 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Proteins, 68, 2007
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2H6S
 | | Secreted aspartic proteinase (Sap) 3 from Candida albicans | | 分子名称: | Candidapepsin-3, ZINC ION | | 著者 | Ruge, E, Borelli, C, Maskos, K, Huber, R. | | 登録日 | 2006-06-01 | | 公開日 | 2007-06-12 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Proteins, 68, 2007
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2G22
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE, 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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2G1N
 | | 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-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin | | 著者 | Holsworth, D.D. | | 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 (2.9 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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2G21
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | 分子名称: | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM, 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 (2.2 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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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
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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
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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
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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
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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
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2ZJM
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2ZJI
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2ZJN
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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
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