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PDB: 38 件
4X7I
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Crystal Structure of BACE with amino thiazine inhibitor LY2886721
分子名称: Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Timm, D.E.
登録日2014-12-09
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
2DYN
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DYNAMIN (PLECKSTRIN HOMOLOGY DOMAIN) (DYNPH)
分子名称: DYNAMIN
著者Timm, D.E.
登録日1997-07-21
公開日1997-11-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the pleckstrin homology domain from dynamin.
Nat.Struct.Biol., 1, 1994
4YBI
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Crystal structure of BACE with amino thiazine inhibitor LY2811376
分子名称: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-02-18
公開日2015-04-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
2OGZ
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BU of 2ogz by Molmil
Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor
分子名称: 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE, Dipeptidyl peptidase
著者Timm, D.E.
登録日2007-01-09
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site.
Bioorg.Med.Chem.Lett., 17, 2007
6BFX
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BACE crystal structure with hydroxy pyrrolidine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
著者Timm, D.E.
登録日2017-10-27
公開日2017-11-15
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFE
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BACE crystal structure with hydroxy pyrrolidine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
著者Timm, D.E.
登録日2017-10-26
公開日2017-11-15
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFD
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BACE crystal structure with hydroxy pyrrolidine inhibitor
分子名称: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2017-10-26
公開日2017-11-15
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFW
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BACE crystal structure with hydroxy morpholine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
著者Timm, D.E.
登録日2017-10-27
公開日2017-11-15
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
4ZSM
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BACE crystal structure with bicyclic aminothiazine fragment
分子名称: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSR
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BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSP
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BU of 4zsp by Molmil
BACE crystal structure with bicyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSQ
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BU of 4zsq by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
3RN8
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BU of 3rn8 by Molmil
Crystal Structure of iGluR2 Ligand Binding Domain and Symmetrical Carboxyl Containing Potentiator
分子名称: 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid), ACETATE ION, GLUTAMIC ACID, ...
著者Timm, D.E.
登録日2011-04-22
公開日2011-05-25
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation.
Mol.Pharmacol., 80, 2011
3RNN
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Crystal Structure of iGluR2 Ligand Binding Domain with Symmetric Sulfonamide Containing Potentiator
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide, ...
著者Timm, D.E.
登録日2011-04-22
公開日2011-05-25
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation.
Mol.Pharmacol., 80, 2011
1AO5
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BU of 1ao5 by Molmil
MOUSE GLANDULAR KALLIKREIN-13 (PRORENIN CONVERTING ENZYME)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLANDULAR KALLIKREIN-13
著者Timm, D.E.
登録日1997-07-16
公開日1997-10-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of the mouse glandular kallikrein-13 (prorenin converting enzyme)
Protein Sci., 6, 1997
1QCO
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BU of 1qco by Molmil
CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH FUMARATE AND ACETOACETATE
分子名称: ACETOACETIC ACID, CALCIUM ION, FUMARIC ACID, ...
著者Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J.
登録日1999-05-17
公開日2000-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
1QCN
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CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE
分子名称: ACETATE ION, CALCIUM ION, FUMARYLACETOACETATE HYDROLASE, ...
著者Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J.
登録日1999-05-14
公開日2000-06-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
1QQJ
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CRYSTAL STRUCTURE OF MOUSE FUMARYLACETOACETATE HYDROLASE REFINED AT 1.55 ANGSTROM RESOLUTION
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J.
登録日1999-06-07
公開日2000-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure and mechanism of a carbon-carbon bond hydrolase.
Structure Fold.Des., 7, 1999
1EYB
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CRYSTAL STRUCTURE OF APO HUMAN HOMOGENTISATE DIOXYGENASE
分子名称: HOMOGENTISATE 1,2-DIOXYGENASE
著者Timm, D.E, Titus, G.P, Penalva, M.A, Mueller, H.A, de Cordoba, S.M.
登録日2000-05-05
公開日2000-11-05
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human homogentisate dioxygenase.
Nat.Struct.Biol., 7, 2000
1IG3
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Mouse Thiamin Pyrophosphokinase Complexed with Thiamin
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, SULFATE ION, thiamin pyrophosphokinase
著者Timm, D.E, Liu, J, Baker, L.-J, Harris, R.A.
登録日2001-04-16
公開日2001-04-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of thiamin pyrophosphokinase.
J.Mol.Biol., 310, 2001
1EY2
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HUMAN HOMOGENTISATE DIOXYGENASE WITH FE(II)
分子名称: FE (II) ION, HOMOGENTISATE 1,2-DIOXYGENASE
著者Timm, D.E, Titus, G.P, Penalva, M.A, Mueller, H.A, de Cordoba, S.M.
登録日2000-05-05
公開日2000-11-05
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human homogentisate dioxygenase.
Nat.Struct.Biol., 7, 2000
1I06
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CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH SEC-BUTYL-THIAZOLINE
分子名称: 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, MAJOR URINARY PROTEIN I
著者Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
登録日2001-01-28
公開日2001-02-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
1I05
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CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH HYDROXY-METHYL-HEPTANONE
分子名称: 6-HYDROXY-6-METHYL-HEPTAN-3-ONE, CADMIUM ION, MAJOR URINARY PROTEIN I
著者Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
登録日2001-01-28
公開日2001-02-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
1I04
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CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN-I FROM MOUSE LIVER
分子名称: MAJOR URINARY PROTEIN I
著者Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
登録日2001-01-28
公開日2001-02-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of pheromone binding to mouse major urinary protein (MUP-I)
Protein Sci., 10, 2001
1UOU
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Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor
分子名称: 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, THYMIDINE PHOSPHORYLASE
著者Norman, R.A, Barry, S.T, Bate, M, Breed, J, Colls, J.G, Ernill, R.J, Luke, R.W.A, Minshull, C.A, McAlister, M.S.B, McCall, E.J, McMiken, H.H.J, Paterson, D.S, Timms, D, Tucker, J.A, Pauptit, R.A.
登録日2003-09-23
公開日2004-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Human Thymidine Phosphorylase in Complex with a Small Molecule Inhibitor
Structure, 12, 2004

 

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