4D88
| Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | 分子名称: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | 著者 | Rondeau, J.M, Bourgier, E. | 登録日 | 2012-01-10 | 公開日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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4D83
| Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | 分子名称: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | 著者 | Rondeau, J.M, Bourgier, E. | 登録日 | 2012-01-10 | 公開日 | 2012-11-21 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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3N45
| Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | 分子名称: | (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-21 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N5H
| Human fpps complex with NOV_304 | 分子名称: | 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-25 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N6K
| Human FPPS complex with NOV_823 | 分子名称: | 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-26 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N5J
| Human fpps complex with NOV_311 | 分子名称: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-25 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N46
| Human FPPS complex with NOV_980 and zoledronic acid/MG2+ | 分子名称: | (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-21 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N1W
| Human FPPS COMPLEX WITH FBS_02 | 分子名称: | (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-17 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N1V
| Human FPPS COMPLEX WITH FBS_01 | 分子名称: | (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-17 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N49
| Human FPPS COMPLEX WITH NOV_292 | 分子名称: | FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION, naphtho[2,1-b]thiophen-1-ylacetic acid | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-21 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N3L
| Human FPPS complex with FBS_03 | 分子名称: | (6-methoxy-1-benzofuran-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-20 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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