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PDB: 64 件

4ACX
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
分子名称: (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
著者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.
登録日2011-12-20
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4ACU
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
分子名称: (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
著者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.
登録日2011-12-19
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4AZY
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Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
分子名称: (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, ...
著者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.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
4B00
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Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
分子名称: 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
著者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.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
1DQR
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CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE, A GLYCOLYTIC ENZYME THAT MOONLIGHTS AS NEUROLEUKIN, AUTOCRINE MOTILITY FACTOR, AND DIFFERENTIATION MEDIATOR
分子名称: 6-PHOSPHOGLUCONIC ACID, PHOSPHOGLUCOSE ISOMERASE
著者Bahnson, B.J, Jeffery, C.J, Ringe, D, Petsko, G.A.
登録日2000-01-05
公開日2000-02-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of rabbit phosphoglucose isomerase, a glycolytic enzyme that moonlights as neuroleukin, autocrine motility factor, and differentiation mediator.
Biochemistry, 39, 2000
1EY3
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STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA
分子名称: 4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA, ENOYL-COA HYDRATASE
著者Bahnson, B.J, Anderson, V.E, Petsko, G.A.
登録日2000-05-05
公開日2002-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural mechanism of enoyl-CoA hydratase: three atoms from a single water are added in either an E1cb stepwise or concerted fashion.
Biochemistry, 41, 2002
2B1P
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inhibitor complex of JNK3
分子名称: 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ...
著者Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L.
登録日2005-09-16
公開日2006-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
1COJ
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FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM
分子名称: FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE)
著者Lim, J.H, Yu, Y.G, Kim, S.-H, Cho, S.-J, Ahn, B.Y, Han, Y.S, Cho, Y.
登録日1999-05-28
公開日1999-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
5XB1
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human ferritin mutant - E-helix deletion
分子名称: Ferritin heavy chain
著者Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y.
登録日2017-03-15
公開日2018-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
5YI5
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human ferritin mutant - E-helix deletion
分子名称: Ferritin heavy chain
著者Lee, S.G, Yoon, H.R, Ahn, B.J, Jeong, H, Hyun, J, Jung, Y, Kim, H.
登録日2017-10-02
公開日2018-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
1EFE
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AN ACTIVE MINI-PROINSULIN, M2PI
分子名称: MINI-PROINSULIN
著者Cho, Y, Chang, S.G, Choi, K.D, Shin, H, Ahn, B, Kim, K.S.
登録日2000-02-08
公開日2000-03-17
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution Structure of an Active Mini-Proinsulin, M2PI: Inter-chain Flexibility is Crucial for Insulin Activity
J.Biochem.Mol.Biol., 33, 2000
3G4E
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Crystal structure of human senescence marker protein-30(SMP30)(Calcium bound)
分子名称: CALCIUM ION, Regucalcin
著者Chakraborti, S, Bahnson, B.J.
登録日2009-02-03
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of human senescence marker protein 30: insights linking structural, enzymatic, and physiological functions .
Biochemistry, 49, 2010
1FXF
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CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)
分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
著者Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J.
登録日2000-09-25
公開日2001-09-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
1FX9
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CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS)
分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHOLIPASE A2, ...
著者Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J.
登録日2000-09-25
公開日2001-09-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding.
Biochemistry, 40, 2001
1AXG
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CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P.
登録日1997-10-15
公開日1998-04-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
1A71
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TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL
分子名称: LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M.
登録日1998-03-19
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
1A72
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AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD
分子名称: 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE, HORSE LIVER ALCOHOL DEHYDROGENASE, ZINC ION
著者Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M.
登録日1998-03-19
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
3G4H
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Crystal structure of Human Senescence Marker Protein-30 (Zinc Bound)
分子名称: Regucalcin, ZINC ION
著者Chakraborti, S, Bahnson, B.J.
登録日2009-02-03
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of human senescence marker protein 30: insights linking structural, enzymatic, and physiological functions .
Biochemistry, 49, 2010
3F98
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Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by tabun
分子名称: FORMIC ACID, Platelet-activating factor acetylhydrolase, R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
著者Samanta, U, Bahnson, B.J.
登録日2008-11-13
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.
Biochem Pharmacol, 78, 2009
3D59
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Crystal structure of human plasma platelet activating factor acetylhydrolase
分子名称: ACETATE ION, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Samanta, U, Bahnson, B.J.
登録日2008-05-16
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Human Plasma Platelet-activating Factor Acetylhydrolase: STRUCTURAL IMPLICATION TO LIPOPROTEIN BINDING AND CATALYSIS.
J.Biol.Chem., 283, 2008
1HN4
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PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM
分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ...
著者Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J.
登録日2000-12-06
公開日2001-12-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure.
Biochemistry, 40, 2001
3MBG
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Crystal Structure of Human Augmenter of Liver Regeneration (ALR)
分子名称: ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J.
登録日2010-03-25
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy .
Biochemistry, 49, 2010
1Y6O
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Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
著者Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
登録日2004-12-06
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
1Y1A
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CRYSTAL STRUCTURE OF CALCIUM AND INTEGRIN BINDING PROTEIN
分子名称: CALCIUM ION, Calcium and integrin binding 1 (calmyrin), GLUTATHIONE
著者Blamey, C.J, Ceccarelli, C, Naik, U.P, Bahnson, B.J.
登録日2004-11-17
公開日2005-05-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of calcium- and integrin-binding protein 1: Insights into redox regulated functions
Protein Sci., 14, 2005
3D5E
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Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by paraoxon
分子名称: DIETHYL PHOSPHONATE, FORMIC ACID, Platelet-activating factor acetylhydrolase
著者Samanta, U, Bahnson, B.J.
登録日2008-05-16
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Human Plasma Platelet-activating Factor Acetylhydrolase: STRUCTURAL IMPLICATION TO LIPOPROTEIN BINDING AND CATALYSIS.
J.Biol.Chem., 283, 2008

 

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