8C14
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![BU of 8c14 by Molmil](/molmil-images/mine/8c14) | Aurora A kinase in complex with TPX2-inhibitor 9 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | Authors: | 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. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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6R4A
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![BU of 6r4a by Molmil](/molmil-images/mine/6r4a) | Aurora-A in complex with shape-diverse fragment 55 | Descriptor: | 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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8C1G
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![BU of 8c1g by Molmil](/molmil-images/mine/8c1g) | Aurora A kinase in complex with TPX2-inhibitor 7 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | Authors: | 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. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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6C2R
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![BU of 6c2r by Molmil](/molmil-images/mine/6c2r) | Aurora A ligand complex | Descriptor: | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | Deposit date: | 2018-01-08 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
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8SSO
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![BU of 8sso by Molmil](/molmil-images/mine/8sso) | AurA bound to danusertib and inhibiting monobody Mb2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | Authors: | Ludewig, H, Kim, C, Kern, D. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A biophysical framework for double-drugging kinases. Proc.Natl.Acad.Sci.USA, 120, 2023
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8OF5
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![BU of 8of5 by Molmil](/molmil-images/mine/8of5) | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Miles, J.A, Hammond, K.L.R, Bayliss, R. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP To Be Published
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5ORS
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![BU of 5ors by Molmil](/molmil-images/mine/5ors) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5ORY
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![BU of 5ory by Molmil](/molmil-images/mine/5ory) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSD
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![BU of 5osd by Molmil](/molmil-images/mine/5osd) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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3O50
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![BU of 3o50 by Molmil](/molmil-images/mine/3o50) | Crystal structure of benzamide 9 bound to AuroraA | Descriptor: | N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | Authors: | Huang, X. | Deposit date: | 2010-07-27 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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4UZH
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![BU of 4uzh by Molmil](/molmil-images/mine/4uzh) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | Authors: | Pouzieux, S, Maignan, S, Crenne, J.Y. | Deposit date: | 2014-09-05 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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2J4Z
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![BU of 2j4z by Molmil](/molmil-images/mine/2j4z) | Structure of Aurora-2 in complex with PHA-680626 | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6 | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | Deposit date: | 2006-09-08 | Release date: | 2006-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile. J. Med. Chem., 49, 2006
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5ORW
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![BU of 5orw by Molmil](/molmil-images/mine/5orw) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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6VPI
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![BU of 6vpi by Molmil](/molmil-images/mine/6vpi) | |
6R4D
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![BU of 6r4d by Molmil](/molmil-images/mine/6r4d) | Aurora-A in complex with shape-diverse fragment 58 | Descriptor: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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5ODT
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![BU of 5odt by Molmil](/molmil-images/mine/5odt) | Aurora-A in complex with TACC3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, GLYCEROL, ... | Authors: | Burgess, S.G, Bayliss, R. | Deposit date: | 2017-07-06 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic alpha-helix. EMBO J., 37, 2018
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6R4C
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![BU of 6r4c by Molmil](/molmil-images/mine/6r4c) | Aurora-A in complex with shape-diverse fragment 57 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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5DN3
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![BU of 5dn3 by Molmil](/molmil-images/mine/5dn3) | Aurora A in complex with ATP and AA35. | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | 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. | Deposit date: | 2015-09-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5G15
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![BU of 5g15 by Molmil](/molmil-images/mine/5g15) | Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP | Descriptor: | AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ... | Authors: | Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A. | Deposit date: | 2016-03-23 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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5LXM
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![BU of 5lxm by Molmil](/molmil-images/mine/5lxm) | |
5ORR
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![BU of 5orr by Molmil](/molmil-images/mine/5orr) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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3LAU
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![BU of 3lau by Molmil](/molmil-images/mine/3lau) | |
4CEG
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![BU of 4ceg by Molmil](/molmil-images/mine/4ceg) | Crystal structure of Aurora A 122-403 C290A, C393A bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CHLORIDE ION, ... | Authors: | Burgess, S.G, Bayliss, R. | Deposit date: | 2013-11-11 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of C290A:C393A Aurora a Provides Structural Insights Into Kinase Regulation. Acta Crystallogr.,Sect.F, 71, 2015
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6VPJ
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![BU of 6vpj by Molmil](/molmil-images/mine/6vpj) | |