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1WBN
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fragment based p38 inhibitors
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Authors:Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBO
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fragment based p38 inhibitors
Descriptor: 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Cleasby, A, Devine, L, Gill, A, Jhoti, H.
Deposit date:2004-11-04
Release date:2005-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1WBP
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BU of 1wbp by Molmil
SRPK1 bound to 9mer docking motif peptide
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MEMBRANE-ASSOCIATED GUANYLATE KINASE, ...
Authors:Ngo, J.C, Gullinsgrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.-D, Adams, J.A, McCammon, J.A, Ghosh, G.
Deposit date:2004-11-04
Release date:2005-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interplay between Srpk and Clk/Sty Kinases in Phosphorylation of the Splicing Factor Asf/Sf2 is Regulated by a Docking Motif in Asf/Sf2
Mol.Cell, 20, 2005
1WBT
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Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBS
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Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBV
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Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBW
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Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
1WCC
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BU of 1wcc by Molmil
screening for fragment binding by X-ray crystallography
Descriptor: 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2
Authors:Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M.
Deposit date:2004-11-12
Release date:2005-01-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1Y8G
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Catalytic and ubiqutin-associated domains of MARK2/PAR-1: Inactive double mutant with selenomethionine
Descriptor: MAP/Microtubule affinity-regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2004-12-12
Release date:2006-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006
1Y8Y
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Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2
Authors:Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
1Y91
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Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2
Authors:Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E.
Deposit date:2004-12-14
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
2BFX
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BU of 2bfx by Molmil
Mechanism of Aurora-B activation by INCENP and inhibition by Hesperadin.
Descriptor: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A
Authors:Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A.
Deposit date:2004-12-15
Release date:2005-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin
Mol.Cell, 18, 2005
2BFY
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BU of 2bfy by Molmil
Complex of Aurora-B with INCENP and Hesperadin.
Descriptor: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
Authors:Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A.
Deposit date:2004-12-15
Release date:2005-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin
Mol.Cell, 18, 2005
1WVW
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BU of 1wvw by Molmil
Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors
Descriptor: Death-associated protein kinase 1
Authors:Ueda, Y, Ogata, H, Yamakawa, A, Higuchi, Y.
Deposit date:2004-12-27
Release date:2006-04-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of kinase domain of DAP kinase
To be Published
1WVX
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BU of 1wvx by Molmil
Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors
Descriptor: 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Death-associated protein kinase 1
Authors:Ueda, Y, Ogata, H, Yamakawa, A, Higuchi, Y.
Deposit date:2004-12-27
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complex structure of kinase domain of DAP kinase with BDB402
To be Published
1WVY
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BU of 1wvy by Molmil
Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors
Descriptor: Death-associated protein kinase 1, STAUROSPORINE
Authors:Ueda, Y, Ogata, H, Yamakawa, A, Higuchi, Y.
Deposit date:2004-12-27
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complex structure of kinase domain of DAP kinase with Staurosporine
To be Published
2BHE
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BU of 2bhe by Molmil
HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 5-BROMO-INDIRUBINE
Descriptor: (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE, CELL DIVISION PROTEIN KINASE 2
Authors:Schaefer, M, Jautelat, R, Brumby, T, Briem, H, Eisenbrand, G, Schwahn, S, Krueger, M, Luecking, U, Prien, O, Siemeister, G.
Deposit date:2005-01-10
Release date:2005-03-09
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
1YHV
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Crystal Structure of PAK1 kinase domain with two point mutations (K299R, T423E)
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Lei, M, Robinson, M.A, Harrison, S.C.
Deposit date:2005-01-10
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Active Conformation of the PAK1 Kinase Domain
Structure, 13, 2005
1YHS
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BU of 1yhs by Molmil
Crystal structure of Pim-1 bound to staurosporine
Descriptor: Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE
Authors:Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
Deposit date:2005-01-10
Release date:2005-01-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1YHW
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Crystal Structure of PAK1 kinase domain with one point mutations (K299R)
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Lei, M, Robinson, M.A, Harrison, S.C.
Deposit date:2005-01-10
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Active Conformation of the PAK1 Kinase Domain
Structure, 13, 2005
2BHH
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BU of 2bhh by Molmil
HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE
Descriptor: (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE, CELL DIVISION PROTEIN KINASE 2
Authors:Schaefer, M, Jautelat, R, Brumby, T, Briem, H, Eisenbrand, G, Schwahn, S, Krueger, M, Luecking, U, Prien, O, Siemeister, G.
Deposit date:2005-01-11
Release date:2005-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
1YI4
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BU of 1yi4 by Molmil
Structure of Pim-1 bound to adenosine
Descriptor: ADENOSINE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
Deposit date:2005-01-11
Release date:2005-01-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1YI3
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BU of 1yi3 by Molmil
Crystal Structure of Pim-1 bound to LY294002
Descriptor: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
Deposit date:2005-01-11
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1YKR
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BU of 1ykr by Molmil
Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
Descriptor: 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2
Authors:Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B.
Deposit date:2005-01-18
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
1YM7
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G Protein-Coupled Receptor Kinase 2 (GRK2)
Descriptor: Beta-adrenergic receptor kinase 1
Authors:Lodowski, D.T, Barnhill, J.F, Pyskadlo, R.M, Ghirlando, R, Sterne-Marr, R, Tesmer, J.J.G.
Deposit date:2005-01-20
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:The role of Gbetagamma and domain interfaces in the activation of G protein-coupled receptor kinase 2
Biochemistry, 44, 2005

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