7XBR
 
 | | Crystal structure of phosphorylated AtMKK5 | | Descriptor: | Mitogen-activated protein kinase kinase 5 | | Authors: | Pei, C.J, Luo, Z.P, Wu, J.W, Wang, Z.X. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the phosphorylated Arabidopsis MKK5 reveals activation mechanism of MAPK kinases.
Acta Biochim.Biophys.Sin., 54, 2022
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1URW
 | | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | | Descriptor: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P. | | Deposit date: | 2003-11-11 | | Release date: | 2004-04-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7X4U
 | | Crystal structure of ERK2 with an allosteric inhibitor 2 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Yoshida, M, Kinoshita, T. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for producing allosteric ERK2 inhibitors
To Be Published
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1V0O
 | | Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex | | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2004-03-31 | | Release date: | 2004-04-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 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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7XC1
 | | Crystal structure of ERK2 with an allosteric inhibitor 3 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Yoshida, M, Kinoshita, T. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis for ERK2 allosteric inhibitors.
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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1S9J
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-11-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
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1SMH
 | | Protein kinase A variant complex with completely ordered N-terminal helix | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-Dependent Protein Kinase, ... | | Authors: | Breitenlechner, C, Engh, R.A, Huber, R, Kinzel, V, Bossemeyer, D, Gassel, M. | | Deposit date: | 2004-03-09 | | Release date: | 2004-07-06 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | The Typically Disordered N-Terminus of PKA Can Fold as a Helix and Project the Myristoylation Site into Solution
Biochemistry, 43, 2004
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1UV5
 | | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | | Descriptor: | 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Dajani, R, Pearl, L.H, Roe, S.M. | | Deposit date: | 2004-01-14 | | Release date: | 2004-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
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1UU9
 | | Structure of human PDK1 kinase domain in complex with BIM-3 | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-16 | | Release date: | 2004-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UU7
 | | Structure of human PDK1 kinase domain in complex with BIM-2 | | Descriptor: | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-16 | | Release date: | 2004-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UVR
 | | Structure of human PDK1 kinase domain in complex with BIM-8 | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | Authors: | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2004-01-22 | | Release date: | 2004-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UU3
 | | Structure of human PDK1 kinase domain in complex with LY333531 | | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-15 | | Release date: | 2004-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1TKI
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1V0P
 | | Structure of P. falciparum PfPK5-Purvalanol B ligand complex | | Descriptor: | CELL DIVISION CONTROL PROTEIN 2 HOMOLOG, PURVALANOL B | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2004-04-01 | | Release date: | 2004-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (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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1UA2
 | | Crystal Structure of Human CDK7 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 7 | | Authors: | Lolli, G, Lowe, E.D, Brown, N.R, Johnson, L.N. | | Deposit date: | 2004-08-11 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The Crystal Structure of Human CDK7 and Its Protein Recognition Properties
Structure, 12, 2004
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1VJY
 | | Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor | | Descriptor: | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I | | Authors: | Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D. | | Deposit date: | 2004-04-07 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
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1W82
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA | | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | | Deposit date: | 2004-09-16 | | Release date: | 2005-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
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1VEB
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1HOW
 | | THE X-RAY CRYSTAL STRUCTURE OF SKY1P, AN SR PROTEIN KINASE IN YEAST | | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE YMR216C, SULFATE ION | | Authors: | Nolen, B.J, Yun, C.Y, Wong, C.F, McCammon, J.A, Fu, X.-D, Ghosh, G. | | Deposit date: | 2000-12-11 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of Sky1p reveals a novel mechanism for constitutive activity.
Nat.Struct.Biol., 8, 2001
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1I09
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1J91
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7-tetrabromobenzotriazole | | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CASEIN KINASE II, ALPHA CHAIN | | Authors: | Battistutta, R, De Moliner, E, Sarno, S, Zanotti, G, Pinna, L.A. | | Deposit date: | 2001-05-23 | | Release date: | 2002-05-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural features underlying selective inhibition of protein kinase CK2 by ATP site-directed tetrabromo-2-benzotriazole.
Protein Sci., 10, 2001
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