Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3INE
DownloadVisualize
BU of 3ine by Molmil
Bace1 with the aminohydantoin Compound S-34
Descriptor: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IGB
DownloadVisualize
BU of 3igb by Molmil
Bace-1 with Compound 3
Descriptor: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-07-27
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3INF
DownloadVisualize
BU of 3inf by Molmil
Bace1 with the aminohydantoin Compound 37
Descriptor: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IN4
DownloadVisualize
BU of 3in4 by Molmil
Bace1 with Compound 38
Descriptor: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN3
DownloadVisualize
BU of 3in3 by Molmil
Bace1 with Compound 30
Descriptor: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3INH
DownloadVisualize
BU of 3inh by Molmil
Bace1 with the aminohydantoin Compound R-58
Descriptor: (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IVI
DownloadVisualize
BU of 3ivi by Molmil
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
Descriptor: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ...
Authors:Pan, H.
Deposit date:2009-09-01
Release date:2010-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3IXJ
DownloadVisualize
BU of 3ixj by Molmil
Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor
Descriptor: Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION
Authors:Borkakoti, N, Lindberg, J, Nystrom, S.
Deposit date:2009-09-04
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Potent and Selective BACE-1 Inhibitors.
J.Med.Chem., 53, 2010
3IXK
DownloadVisualize
BU of 3ixk by Molmil
Potent beta-secretase 1 inhibitor
Descriptor: Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Borkakoti, N, Lindberg, J.D, Nystrom, S.
Deposit date:2009-09-04
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core.
Eur.J.Med.Chem., 45, 2010
2OHM
DownloadVisualize
BU of 2ohm by Molmil
X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHP
DownloadVisualize
BU of 2ohp by Molmil
X-ray crystal structure of beta secretase complexed with compound 3
Descriptor: 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHK
DownloadVisualize
BU of 2ohk by Molmil
X-ray crystal structure of beta secretase complexed with 1-amino-isoquinoline
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHU
DownloadVisualize
BU of 2ohu by Molmil
X-ray crystal structure of beta secretase complexed with compound 8b
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
3K5D
DownloadVisualize
BU of 3k5d by Molmil
Crystal Structure of BACE-1 in complex with AHM178
Descriptor: Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2OHN
DownloadVisualize
BU of 2ohn by Molmil
X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine
Descriptor: 4-(4-FLUOROBENZYL)PIPERIDINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
3K5G
DownloadVisualize
BU of 3k5g by Molmil
Human bace-1 complex with bjc060
Descriptor: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5C
DownloadVisualize
BU of 3k5c by Molmil
Human BACE-1 complex with NB-216
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
3L38
DownloadVisualize
BU of 3l38 by Molmil
Bace1 in complex with the aminopyridine Compound 44
Descriptor: 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2OF0
DownloadVisualize
BU of 2of0 by Molmil
X-ray crystal structure of beta secretase complexed with compound 5
Descriptor: (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-02
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHR
DownloadVisualize
BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OAH
DownloadVisualize
BU of 2oah by Molmil
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Descriptor: Beta-secretase 1, N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
Authors:Munshi, S.
Deposit date:2006-12-15
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation.
Bioorg.Med.Chem.Lett., 17, 2007
2OHL
DownloadVisualize
BU of 2ohl by Molmil
X-ray crystal structure of beta secretase complexed with 2-aminoquinoline
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHS
DownloadVisualize
BU of 2ohs by Molmil
X-ray crystal structure of beta secretase complexed with compound 6b
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
3KMY
DownloadVisualize
BU of 3kmy by Molmil
Structure of BACE bound to SCH12472
Descriptor: 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
2PH6
DownloadVisualize
BU of 2ph6 by Molmil
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Descriptor: 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION
Authors:Munshi, S.
Deposit date:2007-04-10
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon