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3NUP	CDK6 (monomeric) in complex with inhibitor Descriptor: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 Authors: Chopra, R. Deposit date: 2010-07-07 Release date: 2010-12-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.6 Å) Cite: 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
3NUX	CDK6 (monomeric) in complex with inhibitor Descriptor: 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 Authors: Chopra, R. Deposit date: 2010-07-07 Release date: 2010-12-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
3O17	Crystal Structure of JNK1-alpha1 isoform Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... Authors: Abad-Zapatero, C. Deposit date: 2010-07-20 Release date: 2011-01-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal Structure of JNK1-alpha1 isoform TO BE PUBLISHED
6FYV	X-RAY STRUCTURE OF CLK4-KD(146-480)/CX-4945 AT 2.46A Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK4, SULFATE ION Authors: Kallen, J. Deposit date: 2018-03-12 Release date: 2018-07-18 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.46 Å) Cite: X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
6FN5	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-02-02 Release date: 2019-03-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.932 Å) Cite: None To be published
6G8X	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4N0S	Complex of ERK2 with caffeic acid Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Kurinov, I, Malakhova, M. Deposit date: 2013-10-02 Release date: 2014-08-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7992 Å) Cite: Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
6FRX	PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide Authors: Engh, R.A, Kazi, A.A. Deposit date: 2018-02-16 Release date: 2019-03-13 Method: X-RAY DIFFRACTION (1.88 Å) Cite: PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor To Be Published
6G4Z	Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f Descriptor: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 Authors: Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. Deposit date: 2018-03-28 Release date: 2018-07-04 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.84 Å) Cite: Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
6FYO	X-RAY STRUCTURE OF CLK1-KD(148-484)/Cpd-2 AT 2.32A Descriptor: 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK1, SULFATE ION Authors: Kallen, J. Deposit date: 2018-03-12 Release date: 2018-07-18 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.32 Å) Cite: X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
4NT4	Crystal structure of the kinase domain of Gilgamesh isoform I from Drosophila melanogaster Descriptor: GLYCEROL, Gilgamesh, isoform I, ... Authors: Chen, C.C, Shi, Z.B, Zhou, Z.C. Deposit date: 2013-11-30 Release date: 2014-04-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Structure of the kinase domain of Gilgamesh from Drosophila melanogaster Acta Crystallogr.,Sect.F, 70, 2014
4NFM	Human tau tubulin kinase 1 (TTBK1) Descriptor: GLYCEROL, Tau-tubulin kinase 1 Authors: Sheriff, S. Deposit date: 2013-10-31 Release date: 2014-02-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.12 Å) Cite: The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
4NM7	Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... Authors: Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. Deposit date: 2013-11-14 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
6GDQ	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4NW6	Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27 Descriptor: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3 Authors: Appleton, B.A. Deposit date: 2013-12-05 Release date: 2014-02-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.74 Å) Cite: 2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
4NTT	Structure of the catalytic subunit of cAMP-dependent protein kinase bound to ADP and one magnesium ion Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha Authors: Bastidas, A.C, Wu, J, Taylor, S.S. Deposit date: 2013-12-02 Release date: 2014-10-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Molecular Features of Product Release for the PKA Catalytic Cycle. Biochemistry, 54, 2015
6G4J	Structure of the protein kinase YabT from Bacillus subtilis in complex with an alphaREP crystallization helper Descriptor: Probable serine/threonine-protein kinase YabT, alphaREP bE8 Authors: Nessler, S, Cavagnino, A, Rabefiraisana, J.L. Deposit date: 2018-03-27 Release date: 2019-01-30 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Structural Analysis of the Hanks-Type Protein Kinase YabT FromBacillus subtilisProvides New Insights in its DNA-Dependent Activation. Front Microbiol, 9, 2018
6FVF	The Structure of CK2alpha with CCh503 bound Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate Authors: Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. Deposit date: 2018-03-02 Release date: 2019-06-19 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
6G9D	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9M	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G4Y	Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a Descriptor: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION Authors: Hole, A.J, Hymowitz, S.G, McEwan, P.A. Deposit date: 2018-03-28 Release date: 2018-07-04 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
6GDM	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4NJ3	Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 Authors: Fischmann, T.O, Hruza, A.W. Deposit date: 2013-11-08 Release date: 2013-11-27 Last modified: 2014-01-08 Method: X-RAY DIFFRACTION (1.848 Å) Cite: Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor. Bioorg.Med.Chem.Lett., 24, 2014
4NU1	Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ... Authors: Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. Deposit date: 2013-12-03 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
6G76	Phosphorylated RSK4 N-terminal Kinase Domain in complex with AMP-PNP Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION Authors: Prischi, F, Ali, M.M. Deposit date: 2018-04-04 Release date: 2019-04-17 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3 Å) Cite: Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021

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