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5G6V
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BU of 5g6v by Molmil
Crystal structure of the PCTAIRE1 kinase in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16
Authors:Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-08-16
Release date:2016-11-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
7OOX
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BU of 7oox by Molmil
Crystal structure of PIM1 in complex with ARC-3126
Descriptor: 1,2-ETHANEDIOL, Inhibitor ARC-3126, PHOSPHATE ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOV
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BU of 7oov by Molmil
Crystal structure of PIM1 in complex with ARC-1411
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase pim-1, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOW
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BU of 7oow by Molmil
Crystal structure of PIM1 in complex with ARC-1415
Descriptor: 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
4UN0
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BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-05-22
Release date:2014-06-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
4CXA
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BU of 4cxa by Molmil
Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
3MTL
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BU of 3mtl by Molmil
Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804
Descriptor: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16
Authors:Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-08-14
Release date:2016-06-15
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
5O1V
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BU of 5o1v by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Kopec, J, Sethi, R, Dixon-Clarke, S.E, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
To Be Published
5NLB
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BU of 5nlb by Molmil
Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box
Descriptor: Cullin-3, Kelch-like ECH-associated protein 1
Authors:Adamson, R, Krojer, T, Pinkas, D.M, Bartual, S.G, Burgess-Brown, N.A, Borkowska, O, Chalk, R, Newman, J.A, Kopec, J, Dixon-Clarke, S.E, Mathea, S, Sethi, R, Velupillai, S, Mackinnon, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2017-04-04
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural and biochemical characterization establishes a detailed understanding of KEAP1-CUL3 complex assembly.
Free Radic Biol Med, 204, 2023

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