3OWN
| Potent macrocyclic renin inhibitors | 分子名称: | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ... | 著者 | Borkakoti, N, Derbyshire, D. | 登録日 | 2010-09-20 | 公開日 | 2010-12-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent macrocyclic renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
|
|
4EWO
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-27 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4EXG
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-30 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
|
|
8AWI
| Crystal structure of Human Transthyretin at 1.15 Angstrom resolution | 分子名称: | SODIUM ION, Transthyretin | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | 登録日 | 2022-08-29 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
|
|
7Q9N
| Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol | 分子名称: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | 登録日 | 2021-11-12 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
|
|
7Q9O
| Complex of Transthyretin with resveratrol exhibits multiple binding modes | 分子名称: | GLYCEROL, RESVERATROL, SODIUM ION, ... | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | 登録日 | 2021-11-12 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
|
|
7Q9L
| Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol | 分子名称: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ... | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | 登録日 | 2021-11-12 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
|
|
3KYR
| Bace-1 in complex with a norstatine type inhibitor | 分子名称: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | 著者 | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | 登録日 | 2009-12-07 | 公開日 | 2010-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs To be Published
|
|
4DPI
| BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | 分子名称: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | 登録日 | 2012-02-13 | 公開日 | 2012-07-11 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
|
|
4DPF
| BACE-1 in complex with a HEA-macrocyclic type inhibitor | 分子名称: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | 登録日 | 2012-02-13 | 公開日 | 2012-07-11 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
|
|
4GMI
| BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571 | 分子名称: | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ... | 著者 | Lindberg, J.D, Derbyshire, D. | 登録日 | 2012-08-16 | 公開日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of novel BACE-1 inhibitors To be Published
|
|