1YHW
 
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8ZJV
 | | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | | Deposit date: | 2024-05-15 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
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5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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5JZJ
 | | Crystal structure of DCLK1-KD in complex with AMPPN | | Descriptor: | AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Patel, O, Lucet, I. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | | Deposit date: | 2005-02-01 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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5JQ5
 | | Crystal structure of CDK2 in complex with inhibitor ICEC0942 | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, ACETATE ION, Cyclin-dependent kinase 2 | | Authors: | Hazel, P, Freemont, P.S. | | Deposit date: | 2016-05-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
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5JQ8
 | | Crystal structure of CDK2 in complex with inhibitor ICEC0943 | | Descriptor: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | Authors: | Hazel, P, Freemont, P.S. | | Deposit date: | 2016-05-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
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1YRP
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5M44
 | | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions | | Descriptor: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | Deposit date: | 2016-10-18 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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5LCR
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5LXC
 | | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-20 | | Release date: | 2016-10-26 | | Last modified: | 2017-01-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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1XH9
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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1XH5
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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5M56
 | | Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) | | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha', ... | | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.237 Å) | | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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5LPW
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1XH4
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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8WGF
 | | The Crystal Structure of JNK3 from Biortus. | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | Deposit date: | 2023-09-21 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Crystal Structure of JNK3 from Biortus.
To Be Published
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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5M06
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI | | Authors: | Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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5M07
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant | | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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5M08
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A double mutant | | Descriptor: | Serine/threonine-protein kinase PknI | | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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5M09
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant | | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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5M0B
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8WF4
 | | The Crystal Structure of RSK1 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1 | | Authors: | Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J. | | Deposit date: | 2023-09-19 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Crystal Structure of RSK1 from Biortus.
To Be Published
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1V0B
 | | Crystal structure of the t198a mutant of pfpk5 | | Descriptor: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2004-03-26 | | Release date: | 2004-03-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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