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PDB: 48 件
8C1D
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Aurora A kinase in complex with TPX2-inhibitor 9
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1H
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Aurora A kinase in complex with TPX2-inhibitor 8
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1M
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BU of 8c1m by Molmil
Aurora A kinase in complex with TPX2-inhibitor 2
分子名称: 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1F
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BU of 8c1f by Molmil
Aurora A kinase in complex with TPX2-inhibitor 6
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1K
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Aurora A kinase in complex with TPX2-inhibitor CAM2602
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1G
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Aurora A kinase in complex with TPX2-inhibitor 7
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C15
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Aurora A kinase in complex with TPX2-inhibitor 3
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1E
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BU of 8c1e by Molmil
Aurora A kinase in complex with TPX2-inhibitor 9
分子名称: 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1I
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BU of 8c1i by Molmil
Aurora A kinase in complex with TPX2-inhibitor 10
分子名称: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
著者Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2022-12-20
公開日2024-01-10
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
4B2L
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BU of 4b2l by Molmil
Humanised monomeric RadA in complex with L-methylester tryptophan
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-16
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
4B33
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BU of 4b33 by Molmil
Humanised monomeric RadA in complex with napht-2-ol
分子名称: 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-20
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
5DN3
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BU of 5dn3 by Molmil
Aurora A in complex with ATP and AA35.
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DNR
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BU of 5dnr by Molmil
Aurora A Kinase in complex with ATP in space group P41212
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-10
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DPV
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Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-14
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DT0
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BU of 5dt0 by Molmil
Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR9
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BU of 5dr9 by Molmil
Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122
分子名称: 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR2
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BU of 5dr2 by Molmil
Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DT4
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BU of 5dt4 by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DOS
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BU of 5dos by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DRD
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BU of 5drd by Molmil
Aurora A Kinase in Complex with ATP in Space Group P6122
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DT3
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Aurora A Kinase in Complex with ATP in Space Group P6122
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR6
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Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.534 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5JFG
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Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ...
著者Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-04-19
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Humanisation of RadA from Pyrococcus furiosus
To Be Published
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