3DBD
 
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3DB8
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041 | | Descriptor: | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol, Polo-like kinase 1 | | Authors: | Elling, R.A, Hanan, E.J, Lew, W, Romanowski, M.J. | | Deposit date: | 2008-05-30 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3D83
 | | Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide | | Authors: | Somers, D.O. | | Deposit date: | 2008-05-22 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.
Bioorg.Med.Chem.Lett., 18, 2008
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3D9V
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3DAE
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3DBC
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257 | | Descriptor: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1 | | Authors: | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-31 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3DCV
 | | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3DFC
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3DAJ
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3DAK
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2H9V
 | | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 | | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 2 | | Authors: | Yamaguchi, H, Miwa, Y, Kasa, M, Kitano, K, Amano, M, Kaibuchi, K, Hakoshima, T. | | Deposit date: | 2006-06-12 | | Release date: | 2006-12-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
J.Biochem.(Tokyo), 140, 2006
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2H6D
 | | Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK alpha-2 chain) | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | Authors: | Littler, D.R, Walker, J.R, Wybenga-Groot, L, Newman, E.M, Butler-Cole, C, Mackenzie, F, Finerty, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-31 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation.
Acta Crystallogr.,Sect.F, 66, 2010
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3DBQ
 | | Crystal structure of TTK kinase domain | | Descriptor: | Dual specificity protein kinase TTK | | Authors: | Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D. | | Deposit date: | 2008-06-02 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Mechanistic Insights into Mps1 Kinase Activation
J.CELL.MOL.MED., 13, 2008
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3DBF
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562 | | Descriptor: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase | | Authors: | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-31 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3DFA
 | | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum | | Descriptor: | Calcium-dependent protein kinase cgd3_920 | | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-11 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum.
To be Published
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3DLS
 | | Crystal structure of human PAS kinase bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PAS domain-containing serine/threonine-protein kinase | | Authors: | Antonysamy, S, Bonanno, J.B, Romero, R, Russell, M, Iizuka, M, Gheyi, T, Wasserman, S.R, Rutter, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-06-29 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation.
J.Biol.Chem., 285, 2010
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2J4Z
 | | Structure of Aurora-2 in complex with PHA-680626 | | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6 | | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
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3DND
 | | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | | Descriptor: | 5-benzyl-1,3-thiazol-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Schiffer, A, Wendt, K.U. | | Deposit date: | 2008-07-02 | | Release date: | 2009-06-23 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
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2FYS
 | | Crystal structure of Erk2 complex with KIM peptide derived from MKP3 | | Descriptor: | Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 | | Authors: | Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. | | Deposit date: | 2006-02-08 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2FSO
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3DTC
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | Descriptor: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2008-07-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
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2FUM
 | | Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Probable serine/threonine-protein kinase pknB | | Authors: | Wehenkel, A, Alzari, P.M. | | Deposit date: | 2006-01-27 | | Release date: | 2006-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria
Febs Lett., 580, 2006
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3DJ7
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. | | Descriptor: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | | Authors: | Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | Deposit date: | 2008-06-22 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | New fragment-based drug discovery
To be Published
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2FSL
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