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4MF3
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BU of 4mf3 by Molmil
Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist
Descriptor: (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1
Authors:Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
4ZSM
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BU of 4zsm by Molmil
BACE crystal structure with bicyclic aminothiazine fragment
Descriptor: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Timm, D.E.
Deposit date:2015-05-13
Release date:2015-06-10
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSQ
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BU of 4zsq by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
Descriptor: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
Authors:Timm, D.E.
Deposit date:2015-05-13
Release date:2015-06-10
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSR
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BU of 4zsr by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
Descriptor: 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
Authors:Timm, D.E.
Deposit date:2015-05-13
Release date:2015-06-10
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSP
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BU of 4zsp by Molmil
BACE crystal structure with bicyclic aminothiazine inhibitor
Descriptor: 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
Authors:Timm, D.E.
Deposit date:2015-05-13
Release date:2015-06-10
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015

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