4HZT
 
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | Descriptor: | 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION | | Authors: | Yao, N, Brecht, E. | | Deposit date: | 2012-11-15 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I1C
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-03-06 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0E
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4I0F
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4I0Z
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | Descriptor: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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3N4L
 | | BACE-1 in complex with ELN380842 | | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | | Authors: | Yao, N.H. | | Deposit date: | 2010-05-21 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.
Bioorg.Med.Chem.Lett., 20, 2010
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3NSH
 | | BACE-1 in complex with ELN475957 | | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide | | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N. | | Deposit date: | 2010-07-01 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.
Bioorg.Med.Chem.Lett., 20, 2010
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7UPE
 | | Tau Paired Helical Filament from Alzheimer's Disease not incubated with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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7UPG
 | | Tau Paired Helical Filament from Alzheimer's Disease incubated with EGCG for 3 hours | | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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7UPF
 | | Tau Paired Helical Filament from Alzheimer's Disease incubated 1 hr. with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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7K3Y
 | | GGYAGAS segment 52-58 from Keratin-8 | | Descriptor: | GGYAGAS segment 52-58 from the low complexity domain of Keratin-8 | | Authors: | Murray, K.A, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2020-09-14 | | Release date: | 2021-11-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
Nat.Struct.Mol.Biol., 29, 2022
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7K3X
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7K3C
 | | SGMGGIT segment 58-64 from Keratin-8 | | Descriptor: | ETHANOL, SGMGGIT segment 58-64 from the low complexity domain of Keratin-8, TRIETHYLENE GLYCOL | | Authors: | Murray, K.A, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2020-09-11 | | Release date: | 2021-11-10 | | Last modified: | 2022-07-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
Nat.Struct.Mol.Biol., 29, 2022
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