1EQZ
 
 | | X-RAY STRUCTURE OF THE NUCLEOSOME CORE PARTICLE AT 2.5 A RESOLUTION | | 分子名称: | 146 NUCLEOTIDES LONG DNA, CACODYLATE ION, CHLORIDE ION, ... | | 著者 | Hanson, B.L, Harp, J.M, Timm, D.E, Bunick, G.J. | | 登録日 | 2000-04-06 | | 公開日 | 2000-04-17 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Asymmetries in the nucleosome core particle at 2.5 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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6UWP
 | | BACE-1 in complex with compound #32 | | 分子名称: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6UVP
 | | BACE-1 in complex with compound #3 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6UVY
 | | BACE-1 in complex with compound #18 | | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6UVV
 | | BACE-1 in complex with compound #17 | | 分子名称: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Timm, D.E. | | 登録日 | 2019-11-04 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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1HYO
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID | | 分子名称: | 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID, ACETATE ION, CALCIUM ION, ... | | 著者 | Bateman, R.L, Bhanumoorthy, P, Witte, J.F, McClard, R.W, Grompe, M, Timm, D.E. | | 登録日 | 2001-01-21 | | 公開日 | 2001-02-14 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
J.Biol.Chem., 276, 2001
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1IG0
 | | Crystal Structure of yeast Thiamin Pyrophosphokinase | | 分子名称: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Thiamin pyrophosphokinase | | 著者 | Baker, L.-J, Dorocke, J.A, Harris, R.A, Timm, D.E. | | 登録日 | 2001-04-16 | | 公開日 | 2001-06-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of yeast thiamin pyrophosphokinase.
Structure, 9, 2001
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2DYN
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6BFX
 | | BACE crystal structure with hydroxy pyrrolidine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide | | 著者 | Timm, D.E. | | 登録日 | 2017-10-27 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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6BFE
 | | BACE crystal structure with hydroxy pyrrolidine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | | 著者 | Timm, D.E. | | 登録日 | 2017-10-26 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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6BFD
 | | BACE crystal structure with hydroxy pyrrolidine inhibitor | | 分子名称: | 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL | | 著者 | Timm, D.E. | | 登録日 | 2017-10-26 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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6BFW
 | | BACE crystal structure with hydroxy morpholine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | | 著者 | Timm, D.E. | | 登録日 | 2017-10-27 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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6UWV
 | | BACE-1 in complex with compound #34 | | 分子名称: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Hendle, J, Stout, S.L. | | 登録日 | 2019-11-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6V0P
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1PYE
 | | Crystal structure of CDK2 with inhibitor | | 分子名称: | Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE | | 著者 | Zhang, F, Hamdouchi, C. | | 登録日 | 2003-07-08 | | 公開日 | 2004-07-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines.
MOL.CANCER THER., 3, 2004
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