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PDB: 185 results

6VPM
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BU of 6vpm by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
5L8L
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BU of 5l8l by Molmil
Aurora-A kinase domain in complex with vNAR-D01 (crystal form 1)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2016-06-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain.
Open Biology, 6, 2016
5L8J
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BU of 5l8j by Molmil
Aurora-A kinase domain in complex with vNAR-D01 S93R
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2016-06-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain.
Open Biology, 6, 2016
5ORL
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BU of 5orl by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
Authors:McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.69 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
5G1X
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BU of 5g1x by Molmil
Crystal structure of Aurora-A kinase in complex with N-Myc
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, MAGNESIUM ION, ...
Authors:Richards, M.W, Burgess, S.G, Bayliss, R.
Deposit date:2016-03-31
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis of N-Myc Binding by Aurora-A and its Destabilization by Kinase Inhibitors
Proc.Natl.Acad.Sci.USA, 113, 2016
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
Descriptor: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
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 (1.73 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
5OS5
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BU of 5os5 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 4-(4-hydroxyphenyl)sulfanylphenol, 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 (1.74 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
5OS0
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BU of 5os0 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 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 (1.74 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
5L8K
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BU of 5l8k by Molmil
Aurora-A kinase domain in complex with vNAR-D01 (crystal form 2)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2016-06-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain.
Open Biology, 6, 2016
5OS3
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BU of 5os3 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: (1~{R})-1-(4-ethoxyphenyl)ethanamine, 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 (1.81 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
4J8M
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BU of 4j8m by Molmil
Aurora A in complex with CD532
Descriptor: 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ...
Authors:Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A.
Deposit date:2013-02-14
Release date:2014-09-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
6VPL
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BU of 6vpl by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONIC ACID, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
5OS4
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BU of 5os4 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, 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 (1.88 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
5ORV
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BU of 5orv by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE 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 (1.88 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
5ORX
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BU of 5orx by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-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 (1.88 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
5OSF
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BU of 5osf by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, 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 (1.89 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
5OSE
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BU of 5ose by Molmil
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:2017-08-17
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 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
4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
Deposit date:2014-09-02
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
5OS1
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BU of 5os1 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 6-ethoxy-2-methyl-1,3-benzothiazole, 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 (1.9 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
7ZTL
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BU of 7ztl by Molmil
Crystal structure of a covalently linked Aurora-A N-Myc complex
Descriptor: 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Diebold, M, Schindelin, H.
Deposit date:2022-05-11
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a covalently linked Aurora-A-MYCN complex.
Acta Crystallogr D Struct Biol, 79, 2023
3FDN
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BU of 3fdn by Molmil
Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity
Descriptor: N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide, Serine/threonine-protein kinase 6
Authors:Leou, J.S, Wu, J.S, Coumar, M.S, Shukla, P, Hsieh, H.P, Wu, S.Y.
Deposit date:2008-11-26
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity
J.Med.Chem., 52, 2009
1MQ4
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BU of 1mq4 by Molmil
Crystal Structure of Aurora-A Protein Kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA-RELATED KINASE 1, MAGNESIUM ION, ...
Authors:Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
Deposit date:2002-09-13
Release date:2003-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2002
5OS2
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BU of 5os2 by Molmil
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:2024-05-08
Method:X-RAY DIFFRACTION (1.92 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
5ORZ
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BU of 5orz by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE 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 (1.92 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
8C1F
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BU of 8c1f by Molmil
Aurora A kinase in complex with TPX2-inhibitor 6
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
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 (1.924 Å)
Cite:Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
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221051

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