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5CQW	Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry Descriptor: 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ... Authors: Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. Deposit date: 2015-07-22 Release date: 2015-09-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
5CU3	Crystal structure of CK2alpha bound to CAM4066 Descriptor: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... Authors: Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. Deposit date: 2015-07-24 Release date: 2016-07-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.787 Å) Cite: Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
5CWZ	Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase Descriptor: TRAF2 and NCK-interacting protein kinase Authors: Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. Deposit date: 2015-07-28 Release date: 2016-07-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: TNIK inhibition abrogates colorectal cancer stemness Nat Commun, 7, 2016
5D1J	CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032) Descriptor: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide Authors: Sack, J.S. Deposit date: 2015-08-04 Release date: 2015-08-12 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent J.Med.Chem., 47, 2004
5CTP	Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound Descriptor: ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ... Authors: Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. Deposit date: 2015-07-24 Release date: 2016-11-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.033 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
3UZP	crystal structure of ck1d with PF670462 from P21 crystal form Descriptor: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta Authors: Huang, X. Deposit date: 2011-12-07 Release date: 2012-01-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J.Med.Chem., 55, 2012
3UMX	Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one Descriptor: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION Authors: Parker, L.J, Handa, N, Yokoyama, S. Deposit date: 2011-11-15 Release date: 2012-08-08 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
3V6S	Discovery of potent and selective covalent inhibitors of JNK Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10 Authors: Park, H, Laughlin, J.D, LoGrasso, P.V. Deposit date: 2011-12-20 Release date: 2012-02-01 Last modified: 2012-07-25 Method: X-RAY DIFFRACTION (2.97 Å) Cite: Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol., 19, 2012
3V8S	Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18) Descriptor: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1 Authors: Martin, M.P, Zhu, J.-Yi, Schonbrunn, E. Deposit date: 2011-12-23 Release date: 2012-02-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.286 Å) Cite: Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors. J.Med.Chem., 55, 2012
3VUG	Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1 Descriptor: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-06-28 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.24 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VQH	Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Pflug, A, Johnson, K.A, Engh, R.A. Deposit date: 2012-03-23 Release date: 2012-08-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89 Acta Crystallogr.,Sect.F, 68, 2012
3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-03 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VBX	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VN9	Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state Descriptor: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION Authors: Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T. Deposit date: 2012-01-05 Release date: 2012-02-29 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state J.Biochem., 151, 2012
3VUD	Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 Descriptor: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-06-28 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUM	Crystal structure of a cysteine-deficient mutant M7 in MAP kinase JNK1 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-07-02 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3W2C	Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A Authors: Oliveira, T.M, Kairies, N.A, Engh, R.A. Deposit date: 2012-11-28 Release date: 2014-02-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding To be Published
3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VQU	CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION Authors: Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. Deposit date: 2012-03-30 Release date: 2012-06-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
3VUH	Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1 Descriptor: GLYCEROL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-06-28 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUT	Crystal structures of non-phosphorylated MAP2K4 Descriptor: Dual specificity mitogen-activated protein kinase kinase 4 Authors: Matsumoto, T, Kinoshita, T, Kirii, Y, Tada, T, Yamano, A. Deposit date: 2012-07-05 Release date: 2012-09-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Crystal and solution structures disclose a putative transient state of mitogen-activated protein kinase kinase 4 Biochem.Biophys.Res.Commun., 425, 2012
3VBV	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VBQ	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VUL	Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 Descriptor: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1 Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-07-02 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.81 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
3VUK	Crystal structure of a cysteine-deficient mutant M5 in MAP kinase JNK1 Descriptor: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION Authors: Nakaniwa, T, Kinoshita, T, Inoue, T. Deposit date: 2012-07-02 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012

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