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2OXX
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Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXY
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BU of 2oxy by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2P3G
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BU of 2p3g by Molmil
Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2
Descriptor: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2
Authors:Kurumbail, R.G, Caspers, N.
Deposit date:2007-03-08
Release date:2007-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007
1IG1
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1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and Mn.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, death-associated protein kinase
Authors:Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M.
Deposit date:2001-04-16
Release date:2002-04-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
Descriptor: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
2OXD
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BU of 2oxd by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
1KWP
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BU of 1kwp by Molmil
Crystal Structure of MAPKAP2
Descriptor: MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION
Authors:Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A.
Deposit date:2002-01-30
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That Couples Kinase Activation with Nuclear Export
J.Biol.Chem., 277, 2002
2NP8
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BU of 2np8 by Molmil
Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors
Descriptor: N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
1KV1
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BU of 1kv1 by Molmil
p38 MAP Kinase in Complex with Inhibitor 1
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
1KV2
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BU of 1kv2 by Molmil
Human p38 MAP Kinase in Complex with BIRB 796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
2OU7
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BU of 2ou7 by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
Descriptor: ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-02-09
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
2OWB
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BU of 2owb by Molmil
Structure of the Catalytic Domain of Human Polo-like Kinase 1
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Ding, Y.-H, Kothe, M, Kohls, D, Low, S.
Deposit date:2007-02-15
Release date:2007-04-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
2NO3
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BU of 2no3 by Molmil
Novel 4-anilinopyrimidines as potent JNK1 Inhibitors
Descriptor: 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-10-24
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007
1LP4
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BU of 1lp4 by Molmil
Crystal structure of a binary complex of the catalytic subunit of protein kinase CK2 with Mg-AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase CK2
Authors:Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D.
Deposit date:2002-05-07
Release date:2002-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
2P55
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BU of 2p55 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Ohren, J.F, Pavlovsky, A.G.
Deposit date:2007-03-14
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
2OZA
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BU of 2oza by Molmil
Structure of p38alpha complex
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
Deposit date:2007-02-25
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
1LEW
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BU of 1lew by Molmil
CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A
Descriptor: Mitogen-activated protein kinase 14, Myocyte-specific enhancer factor 2A
Authors:Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J.
Deposit date:2002-04-10
Release date:2002-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b.
Mol.Cell, 9, 2002
2PML
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BU of 2pml by Molmil
Crystal structure of PfPK7 in complex with an ATP analogue
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ser/Thr protein kinase
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of PfPK7 an atypical protein kinase from P. falciparum identify a novel activation motif and leads for inhibitor design
To be Published
1LPU
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BU of 1lpu by Molmil
Low Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays
Descriptor: BENZAMIDINE, Protein kinase CK2
Authors:Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D.
Deposit date:2002-05-08
Release date:2002-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
2Q0N
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BU of 2q0n by Molmil
Structure of human p21 activating kinase 4 (PAK4) in complex with a consensus peptide
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase PAK 4, ...
Authors:Filippakopoulos, P, Eswaran, J, Turnbull, A, Papagrigoriou, E, Pike, A.W, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-22
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of human p21 activating kinase 4 (PAK4) in complex with a consensus peptide.
To be Published
2PUU
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BU of 2puu by Molmil
Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
Descriptor: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
Authors:Qian, K.C.
Deposit date:2007-05-09
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
2PVJ
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
Descriptor: 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
Authors:Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
Deposit date:2007-05-09
Release date:2008-05-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
2PVL
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BU of 2pvl by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
Descriptor: 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
Authors:Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
Deposit date:2007-05-09
Release date:2008-05-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007

223532

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