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4BIE
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BU of 4bie by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-04-10
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BHN
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BU of 4bhn by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-04-04
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BIB
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BU of 4bib by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: 3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide, ACETATE ION, GLYCEROL, ...
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-04-10
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
4BID
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BU of 4bid by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-04-10
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
1Q8P
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BU of 1q8p by Molmil
Pterocarpus angolensis lectin PAL in complex with the dimannoside Man(alpha1-3)Man
分子名称: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-22
公開日2004-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
4BIC
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BU of 4bic by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-04-10
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
1Q8Q
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BU of 1q8q by Molmil
Pterocarpus angolensis lectin (PAL) in complex with the dimannoside Man(alpha1-4)Man
分子名称: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose-(1-4)-methyl alpha-D-mannopyranoside, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-22
公開日2004-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
1Q8V
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BU of 1q8v by Molmil
Pterocarpus angolensis lectin (PAL) in complex with the trimannoside [Man(Alpha1-3)]Man(alpha1-6)Man
分子名称: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-22
公開日2004-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
4BF2
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BU of 4bf2 by Molmil
Crystal Structures of Ask1-inhibitor Complexes
分子名称: ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ...
著者Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J.
登録日2013-03-13
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
1Q8O
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BU of 1q8o by Molmil
Pterocartpus angolensis lectin PAL in complex with the dimmanoside Man(alpha1-2)Man
分子名称: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-22
公開日2004-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
1Q8S
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BU of 1q8s by Molmil
Pterocarpus angolensis lectin (PAL) in complex with the dimannoside Man(alpha1-6)Man
分子名称: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose-(1-6)-methyl alpha-D-mannopyranoside, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, DeBoeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-22
公開日2004-02-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
1UKG
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BU of 1ukg by Molmil
Pterocarps angolensis lectin PAL in complex with methyl-alpha-mannose
分子名称: CALCIUM ION, MANGANESE (II) ION, lectin, ...
著者Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J.
登録日2003-08-21
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
6Z7G
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BU of 6z7g by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
分子名称: Bromodomain-containing protein 4, N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
著者Chung, C.
登録日2020-05-30
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63, 2020
6Z7F
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BU of 6z7f by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
著者Chung, C.
登録日2020-05-30
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63, 2020
7OE8
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BU of 7oe8 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
分子名称: (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-02
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021
7OE9
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BU of 7oe9 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
分子名称: (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-05-02
公開日2021-07-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors.
J.Med.Chem., 64, 2021

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