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5EJA
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BU of 5eja by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and soaked with isochorismate for 7 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
5EJ7
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BU of 5ej7 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 21 s
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
5EJ5
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BU of 5ej5 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 1.5 h
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
5EJ6
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BU of 5ej6 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate for 2 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
5EJ4
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BU of 5ej4 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 15 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
5EJ8
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BU of 5ej8 by Molmil
EcMenD-ThDP-Mn2+ complex structure soaked with 2-ketoglutarate for 2 min
分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
4I0D
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BU of 4i0d by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I10
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BU of 4i10 by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I12
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BU of 4i12 by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ...
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0G
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BU of 4i0g by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4HZT
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BU of 4hzt by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-15
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I1C
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BU of 4i1c by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I6H
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BU of 4i6h by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Chemmedchem, 8, 2013
4I0E
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BU of 4i0e by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I5P
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BU of 4i5p by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6B
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BU of 4i6b by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6F
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BU of 4i6f by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
著者Pan, H.
登録日2012-11-29
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0Z
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BU of 4i0z by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4LPW
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BU of 4lpw by Molmil
Crystal structure of TENCON variant A6
分子名称: TENCON variant A6
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPY
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BU of 4lpy by Molmil
Crystal structure of TENCON variant G10
分子名称: SODIUM ION, TENCON variant G10
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPU
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BU of 4lpu by Molmil
Crystal structure of TENCON variant P40AR2-32R2
分子名称: TENCON variant P40AR2-32R2
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPV
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BU of 4lpv by Molmil
Crystal structure of TENCON variant P41BR3-42
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TENCON variant P41BR3-42
著者Teplyakov, A, Obmolova, G, Luo, J, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPT
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BU of 4lpt by Molmil
Crystal structure of monomeric TENCON variant P54CR4-31
分子名称: TENCON variant P54CR4-31
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.544 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
4LPX
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BU of 4lpx by Molmil
Crystal structure of TENCON variant D4
分子名称: TENCON variant D4
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2013-07-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献C-terminal beta-strand swapping in a consensus-derived fibronectin Type III scaffold.
Proteins, 82, 2014
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