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3RNN
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BU of 3rnn by Molmil
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
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
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
1QCN
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BU of 1qcn by Molmil
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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BU of 1qqj by Molmil
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
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
1I04
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BU of 1i04 by Molmil
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
1I06
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BU of 1i06 by Molmil
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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BU of 1i05 by Molmil
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
1IG3
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BU of 1ig3 by Molmil
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
4X7I
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BU of 4x7i by Molmil
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
4ZSM
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BU of 4zsm by Molmil
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
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
4ZSR
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BU of 4zsr by Molmil
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
4YBI
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BU of 4ybi by Molmil
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
1EY2
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BU of 1ey2 by Molmil
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
1EYB
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BU of 1eyb by Molmil
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
7MYR
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BU of 7myr by Molmil
BACE-1 in complex with compound #18
分子名称: (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYU
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BU of 7myu by Molmil
BACE-1 in complex with compound #22
分子名称: Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYI
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BACE-1 in complex with compound #6
分子名称: (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
2HZY
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Mouse fumarylacetoacetate hydrolase complexes with a transition-state mimic of the complete substrate
分子名称: 4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]-3-OXOBUTANOIC ACID, CALCIUM ION, Fumarylacetoacetase, ...
著者Hurley, T.D, Timm, D.E.
登録日2006-08-09
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Slow-onset inhibition of fumarylacetoacetate hydrolase by phosphinate mimics of the tetrahedral intermediate: kinetics, crystal structure and pharmacokinetics.
Biochem.J., 402, 2007
7M05
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BU of 7m05 by Molmil
CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988
分子名称: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McMillan, B.J, McKinney, D.C, Timm, D.E.
登録日2021-03-10
公開日2021-03-17
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
2F17
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Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom
分子名称: 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ...
著者Liu, J.Y, Timm, D.E, Hurley, T.D.
登録日2005-11-14
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pyrithiamine as a substrate for thiamine pyrophosphokinase
J.Biol.Chem., 281, 2006

 

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