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4FM7
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BU of 4fm7 by Molmil
Crystal Structure of BACE with Compound 14g
分子名称: 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION
著者Vajdos, F.F, Varghese, A.H.
登録日2012-06-15
公開日2012-10-03
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
4FM8
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BU of 4fm8 by Molmil
Crystal Structure of BACE with Compound 12a
分子名称: (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Vajdos, F.F, Varghese, A.H.
登録日2012-06-15
公開日2012-10-03
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
4DL1
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BU of 4dl1 by Molmil
Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ...
著者Vajdos, F, Varghese, A.
登録日2012-02-05
公開日2012-03-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)).
Biochemistry, 51, 2012
4OKL
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BU of 4okl by Molmil
Crystal Structure of d(CCCCGGTACCGGGG)2 at 1.65 Angstrom
分子名称: 14 mer A-DNA
著者Anna, V, Monica, P, Mandal, P.K, Gautham, N.
登録日2014-01-22
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of d(CCCCGGTACCGGGG)2 at 1.65 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 70, 2014

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件を2024-07-10に公開中

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