6TCA
 
 | | Phosphorylated p38 and MAPKAPK2 complex with inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | Authors: | Sok, P, Remenyi, A. | | Deposit date: | 2019-11-05 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
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6TEW
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-12 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.082 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | Deposit date: | 2019-12-06 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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6Z50
 | | Crystal structure of CLK1 in complex with macrocycle ODS2003208 | | Descriptor: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK1, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of CLK1 in complex with macrocycle ODS2003208
To Be Published
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6YTA
 | | CLK1 bound with imidazopyridazine (Cpd 1) | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6YTG
 | | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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3BIZ
 | | Wee1 kinase complex with inhibitor PD331618 | | Descriptor: | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-12-02 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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6RQ4
 | | Inhibitor of ERK2 | | Descriptor: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M. | | Deposit date: | 2019-05-15 | | Release date: | 2019-12-04 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2.
Mol.Cancer Ther., 19, 2020
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3BHH
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B) | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II beta chain, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile | | Authors: | Filippakopoulos, P, Rellos, P, Niesen, F, Burgess, N, Bullock, A, Berridge, G, Pike, A.C.W, Ugochukwu, E, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-28 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B).
To be Published
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6TLR
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | | Descriptor: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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3C13
 | | Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2008-01-22 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin
J.Mol.Biol., 377, 2008
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6TLS
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | | Descriptor: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6T8N
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
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6TLL
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TLW
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE | | Descriptor: | 7-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TE2
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | | Descriptor: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-11 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.922 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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2ZMD
 | | Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor | | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L. | | Deposit date: | 2008-04-16 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
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2ZOQ
 | | Structural dissection of human mitogen-activated kinase ERK1 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 3, SODIUM ION, ... | | Authors: | Kinoshita, T, Tada, T, Nakae, S, Yoshida, I. | | Deposit date: | 2008-06-01 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structure of human mono-phosphorylated ERK1 at Tyr204
Biochem.Biophys.Res.Commun., 377, 2008
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3C0H
 | | CASK CaM-Kinase Domain- AMPPNP complex, P1 form | | Descriptor: | ADENOSINE MONOPHOSPHATE, Peripheral plasma membrane protein CASK | | Authors: | Wahl, M.C. | | Deposit date: | 2008-01-20 | | Release date: | 2008-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | CASK Functions as a Mg2+-independent neurexin kinase
Cell(Cambridge,Mass.), 133, 2008
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3C0G
 | | CASK CaM-Kinase Domain- 3'-AMP complex, P1 form | | Descriptor: | Peripheral plasma membrane protein CASK, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Authors: | Wahl, M.C. | | Deposit date: | 2008-01-20 | | Release date: | 2008-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | CASK Functions as a Mg2+-independent neurexin kinase
Cell(Cambridge,Mass.), 133, 2008
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2ZB0
 | | Crystal structure of P38 in complex with biphenyl amide inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | | Authors: | Somers, D.O. | | Deposit date: | 2007-10-13 | | Release date: | 2008-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
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2ZJW
 | | Crystal structure of human CK2 alpha complexed with Ellagic acid | | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Casein kinase II subunit alpha | | Authors: | Sekiguchi, Y, Kinoshita, T, Nakaniwa, T, Tada, T. | | Deposit date: | 2008-03-11 | | Release date: | 2009-03-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid
Bioorg.Med.Chem.Lett., 19, 2009
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2ZMC
 | | Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L. | | Deposit date: | 2008-04-16 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
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2Z2W
 | | Human Wee1 kinase complexed with inhibitor PF0335770 | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2007-05-29 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Synthesis and Structure-Activity Relationships of 9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones and Related Formamides as Inhibitors of the Wee1 and Chk1 Checkpoint Kinases
To be Published
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2ZDU
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | Descriptor: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | | Authors: | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | | Deposit date: | 2007-11-27 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
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