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1APF
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BU of 1apf by Molmil
ANTHOPLEURIN-B, NMR, 20 STRUCTURES
分子名称: ANTHOPLEURIN-B
著者Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S.
登録日1995-05-30
公開日1996-07-11
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A.
Structure, 3, 1995
1RON
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BU of 1ron by Molmil
NMR SOLUTION STRUCTURE OF HUMAN NEUROPEPTIDE Y
分子名称: NEUROPEPTIDE Y
著者Monks, S.A, Karagianis, G, Howlett, G.J, Norton, R.S.
登録日1996-01-11
公開日1996-08-17
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of human neuropeptide Y.
J.Biomol.NMR, 8, 1996
1AHL
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BU of 1ahl by Molmil
ANTHOPLEURIN-A,NMR, 20 STRUCTURES
分子名称: ANTHOPLEURIN-A
著者Pallaghy, P.K, Scanlon, M.J, Monks, S.A, Norton, R.S.
登録日1994-10-28
公開日1995-11-14
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A.
Biochemistry, 34, 1995
1ZEC
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BU of 1zec by Molmil
NMR Solution structure of NEF1-25, 20 structures
分子名称: NEF1-25
著者Barnham, K.J, Monks, S.A, Hinds, M.G, Azad, A.A, Norton, R.S.
登録日1996-12-18
公開日1998-01-07
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Solution structure of a polypeptide from the N terminus of the HIV protein Nef.
Biochemistry, 36, 1997
1QA5
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BU of 1qa5 by Molmil
MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
分子名称: PROTEIN (MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN (MYRISTATE-GLY2 TO TRP57))
著者Geyer, M, Kalbitzer, H.R.
登録日1999-04-12
公開日1999-05-26
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
1QA4
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BU of 1qa4 by Molmil
HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
分子名称: Protein Nef
著者Geyer, M, Kalbitzer, H.R.
登録日1999-04-12
公開日1999-05-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
1D1F
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SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-III OF NEUROPEPTIDE Y
分子名称: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
著者Yao, S, Norton, R.S.
登録日1999-09-15
公開日2000-06-16
最終更新日2018-01-24
実験手法SOLUTION NMR
主引用文献Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
1D1E
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BU of 1d1e by Molmil
SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-II OF NEUROPEPTIDE Y
分子名称: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
著者Yao, S, Norton, R.S.
登録日1999-09-15
公開日2000-06-17
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
1D0W
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BU of 1d0w by Molmil
SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-I OF NEUROPEPTIDE Y
分子名称: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
著者Yao, S, Norton, R.S.
登録日1999-09-14
公開日2000-06-16
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
4X7I
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BU of 4x7i by Molmil
Crystal Structure of BACE with amino thiazine inhibitor LY2886721
分子名称: Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Timm, D.E.
登録日2014-12-09
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
7MYR
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BU of 7myr by Molmil
BACE-1 in complex with compound #18
分子名称: (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYU
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BACE-1 in complex with compound #22
分子名称: Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYI
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BU of 7myi by Molmil
BACE-1 in complex with compound #6
分子名称: (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-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, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
6UWP
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BU of 6uwp by Molmil
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
6UVP
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BU of 6uvp by Molmil
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
6UWV
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BU of 6uwv by Molmil
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
6UVY
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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
6UVV
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BU of 6uvv by Molmil
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
4ZSM
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BACE crystal structure with bicyclic aminothiazine fragment
分子名称: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4YBI
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Crystal structure of BACE with amino thiazine inhibitor LY2811376
分子名称: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-02-18
公開日2015-04-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
4ZSR
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BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSP
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BACE crystal structure with bicyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSQ
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BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015

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