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1OM1
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Crystal structure of maize CK2 alpha in complex with IQA
Descriptor: (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID, Casein kinase II, alpha chain
Authors:Battistutta, R, De Moliner, E, Zanotti, G.
Deposit date:2003-02-24
Release date:2004-02-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Biochemical and three-dimensional-structural study of the specific inhibition of protein kinase CK2 by [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid (IQA).
Biochem.J., 374, 2003
1OVE
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The structure of p38 alpha in complex with a dihydroquinolinone
Descriptor: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-26
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
5VD0
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BU of 5vd0 by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH MK1775
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-04-01
Release date:2017-08-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
5VJA
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Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38)
Descriptor: (2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide, DIMETHYL SULFOXIDE, Death-associated protein kinase 3, ...
Authors:Carlson, D.A, Singer, M.R, Sutherland, C, Redondo, C, Alexander, L, Hughes, P.F, Knapp, S, MacDonald, J.A, Haystead, T.A.J.
Deposit date:2017-04-19
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Targeting Pim Kinases and DAPK3 to Control Hypertension.
Cell Chem Biol, 25, 2018
1OUK
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The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
Descriptor: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-24
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OUY
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The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
Descriptor: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-25
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OIT
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BU of 1oit by Molmil
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Descriptor: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
5WNH
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BU of 5wnh by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
5WNL
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BU of 5wnl by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to staurosporine
Descriptor: CHLORIDE ION, Receptor-interacting serine/threonine-protein kinase 4, STAUROSPORINE
Authors:Huang, C.S, Hymowitz, S.G.
Deposit date:2017-08-01
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
5YVB
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BU of 5yvb by Molmil
Structure of CaMKK2 in complex with CKI-011
Descriptor: (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
1NVQ
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BU of 1nvq by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/UCN-01
Descriptor: 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ...
Authors:Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
Deposit date:2003-02-04
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1PXL
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BU of 1pxl by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine
Descriptor: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2
Authors:Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
1Q3W
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BU of 1q3w by Molmil
GSK-3 Beta complexed with Alsterpaullone
Descriptor: 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE, GLYCOGEN SYNTHASE KINASE-3 BETA
Authors:Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M.
Deposit date:2003-08-01
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
5YV9
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BU of 5yv9 by Molmil
Structure of CaMKK2 in complex with CKI-009
Descriptor: 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
1Q41
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BU of 1q41 by Molmil
GSK-3 Beta complexed with Indirubin-3'-monoxime
Descriptor: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA
Authors:Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M.
Deposit date:2003-08-01
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
Authors:Xie, X.
Deposit date:1998-06-08
Release date:1999-06-08
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
5XV7
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BU of 5xv7 by Molmil
SRPK1 in complex with Alectinib
Descriptor: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1
Authors:Zeng, C, Ngo, J.C.K.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
1NVR
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BU of 1nvr by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine
Descriptor: Peptide ASVSA, STAUROSPORINE, SULFATE ION, ...
Authors:Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
Deposit date:2003-02-04
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1NXK
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Crystal structure of staurosporine bound to MAP KAP kinase 2
Descriptor: MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
Authors:Underwood, K.W, Parris, K.D, Federico, E, Mosyak, L, Czerwinski, R.M, Shane, T, Taylor, M, Svenson, K, Liu, Y, Hsiao, C.L, Wolfrom, S, Malakian, K, Telliez, J.B, Lin, L.L, Kriz, R.W, Seehra, J, Somers, W.S, Stahl, M.L.
Deposit date:2003-02-10
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
Descriptor: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
Authors:Zhao, F, Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
1NVS
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BU of 1nvs by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/SB218078
Descriptor: Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ...
Authors:Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
Deposit date:2003-02-04
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1Q99
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Crystal structure of the Saccharomyces cerevisiae SR protein kinsae, Sky1p, complexed with the non-hydrolyzable ATP analogue, AMP-PNP
Descriptor: 1,2-ETHANEDIOL, METHANOL, NICKEL (II) ION, ...
Authors:Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G.
Deposit date:2003-08-22
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography
Biochemistry, 42, 2003
5WNJ
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BU of 5wnj by Molmil
Crystal structure of murine receptor-interacting protein kinase 4 (Ripk4) D143N in complex with lestaurtinib
Descriptor: CHLORIDE ION, Lestaurtinib, Receptor-interacting serine/threonine-protein kinase 4
Authors:Huang, C.S, Hymowitz, S.G.
Deposit date:2017-08-01
Release date:2018-05-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
5X17
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Crystal structure of murine CK1d in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
Authors:Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
Deposit date:2017-01-25
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
1P2A
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BU of 1p2a by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor
Descriptor: 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2
Authors:Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C.
Deposit date:2003-04-15
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors
BIOORG.MED.CHEM., 13, 2003

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