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5HU1
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BU of 5hu1 by Molmil
BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
Descriptor: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
Authors:Orth, P.
Deposit date:2016-01-27
Release date:2016-11-09
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HU0
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BU of 5hu0 by Molmil
BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
Authors:Orth, P.
Deposit date:2016-01-27
Release date:2016-11-09
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HTZ
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BU of 5htz by Molmil
BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide
Descriptor: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1
Authors:Orth, P.
Deposit date:2016-01-27
Release date:2016-11-09
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
1F43
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BU of 1f43 by Molmil
SOLUTION STRUCTURE OF THE MATA1 HOMEODOMAIN
Descriptor: MATING-TYPE PROTEIN A-1
Authors:Anderson, J.S, Forman, M, Modleski, S, Dahlquist, F.W, Baxter, S.M.
Deposit date:2000-06-07
Release date:2000-07-26
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Cooperative ordering in homeodomain-DNA recognition: solution structure and dynamics of the MATa1 homeodomain.
Biochemistry, 39, 2000

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