4B00
 
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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4AZY
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) | | Descriptor: | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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4ACU
 | | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14 | | Descriptor: | (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | | Deposit date: | 2011-12-19 | | Release date: | 2012-02-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
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4ACX
 | | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23 | | Descriptor: | (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | | Deposit date: | 2011-12-20 | | Release date: | 2012-02-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
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1DQR
 | | CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE, A GLYCOLYTIC ENZYME THAT MOONLIGHTS AS NEUROLEUKIN, AUTOCRINE MOTILITY FACTOR, AND DIFFERENTIATION MEDIATOR | | Descriptor: | 6-PHOSPHOGLUCONIC ACID, PHOSPHOGLUCOSE ISOMERASE | | Authors: | Bahnson, B.J, Jeffery, C.J, Ringe, D, Petsko, G.A. | | Deposit date: | 2000-01-05 | | Release date: | 2000-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of rabbit phosphoglucose isomerase, a glycolytic enzyme that moonlights as neuroleukin, autocrine motility factor, and differentiation mediator.
Biochemistry, 39, 2000
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1EY3
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2B1P
 | | inhibitor complex of JNK3 | | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
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5YI5
 | | human ferritin mutant - E-helix deletion | | Descriptor: | Ferritin heavy chain | | Authors: | Lee, S.G, Yoon, H.R, Ahn, B.J, Jeong, H, Hyun, J, Jung, Y, Kim, H. | | Deposit date: | 2017-10-02 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
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5XB1
 | | human ferritin mutant - E-helix deletion | | Descriptor: | Ferritin heavy chain | | Authors: | Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y. | | Deposit date: | 2017-03-15 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
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1COJ
 | | FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM | | Descriptor: | FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE) | | Authors: | Lim, J.H, Yu, Y.G, Kim, S.-H, Cho, S.-J, Ahn, B.Y, Han, Y.S, Cho, Y. | | Deposit date: | 1999-05-28 | | Release date: | 1999-06-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of an Fe-superoxide dismutase from the hyperthermophile Aquifex pyrophilus at 1.9 A resolution: structural basis for thermostability.
J.Mol.Biol., 270, 1997
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1EFE
 | | AN ACTIVE MINI-PROINSULIN, M2PI | | Descriptor: | MINI-PROINSULIN | | Authors: | Cho, Y, Chang, S.G, Choi, K.D, Shin, H, Ahn, B, Kim, K.S. | | Deposit date: | 2000-02-08 | | Release date: | 2000-03-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of an Active Mini-Proinsulin, M2PI: Inter-chain Flexibility is Crucial for Insulin Activity
J.Biochem.Mol.Biol., 33, 2000
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3F98
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1LWD
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1L8S
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3MBG
 | | Crystal Structure of Human Augmenter of Liver Regeneration (ALR) | | Descriptor: | ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J. | | Deposit date: | 2010-03-25 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy .
Biochemistry, 49, 2010
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1LE6
 | | CARBOXYLIC ESTER HYDROLASE, P 1 21 1 SPACE GROUP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Group X Secretory Phospholipase A2 | | Authors: | Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2002-04-09 | | Release date: | 2002-08-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of human group X secreted phospholipase A2. Electrostatically neutral interfacial surface targets zwitterionic membranes.
J.Biol.Chem., 277, 2002
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1LE7
 | | CARBOXYLIC ESTER HYDROLASE, C 2 2 21 space group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Group X Secretory Phospholipase A2 | | Authors: | Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2002-04-09 | | Release date: | 2002-08-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of human group X secreted phospholipase A2. Electrostatically neutral interfacial surface targets zwitterionic membranes.
J.Biol.Chem., 277, 2002
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3D59
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3D5E
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3F97
 | | Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by soman | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, ACETATE ION, Platelet-activating factor acetylhydrolase, ... | | Authors: | Samanta, U, Bahnson, B.J. | | Deposit date: | 2008-11-13 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
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3G4H
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3G4E
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1HN4
 | | PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM | | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ... | | Authors: | Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2000-12-06 | | Release date: | 2001-12-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure.
Biochemistry, 40, 2001
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3F9C
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4B05
 | | Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease | | Descriptor: | (1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Jeppsson, F, Eketjall, S, Janson, J, Karlstrom, S, Gustavsson, S, Olsson, L.L, Radesater, A.C, Ploeger, B, Cebers, G, Kolmodin, K, Swahn, B.M, von Berg, S, Bueters, T, Falting, J. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.
J. Biol. Chem., 287, 2012
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