3DTC
 
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | 分子名称: | 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 | | 著者 | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | 登録日 | 2008-07-14 | | 公開日 | 2009-03-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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3DJ7
 | | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. | | 分子名称: | 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 | | 著者 | Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | | 登録日 | 2008-06-22 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | New fragment-based drug discovery
To be Published
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2VN9
 | | Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform 1, CAMKD | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CHLORIDE ION, ... | | 著者 | Roos, A.K, Rellos, P, Salah, E, Pike, A.C.W, Fedorov, O, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S. | | 登録日 | 2008-01-31 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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3DNE
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2V0D
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | 分子名称: | 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE, CELL DIVISION PROTEIN KINASE 2, CHLORIDE ION | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2007-05-14 | | 公開日 | 2007-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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3DY7
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | 分子名称: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | | 登録日 | 2008-07-25 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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2WQM
 | | Structure of apo human Nek7 | | 分子名称: | NICKEL (II) ION, SERINE/THREONINE-PROTEIN KINASE NEK7, SULFATE ION | | 著者 | Richards, M.W, Bayliss, R. | | 登録日 | 2009-08-24 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An Auto-Inhibitory Tyrosine Motif in the Cell-Cycle Regulated Nek7 Kinase is Released Through Binding of Nek9
Mol.Cell, 36, 2009
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2X81
 | | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | | 分子名称: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | | 登録日 | 2010-03-05 | | 公開日 | 2010-05-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
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3FME
 | | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D) | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE | | 著者 | Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-12-21 | | 公開日 | 2009-01-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
To be Published
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3FMK
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2WNT
 | | Crystal Structure of the Human Ribosomal protein S6 kinase | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, RIBOSOMAL PROTEIN S6 KINASE, ... | | 著者 | Muniz, J.R.C, Elkins, J.M, Wang, J, Ugochukwu, E, Salah, E, King, O, Picaud, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | 登録日 | 2009-07-20 | | 公開日 | 2009-08-25 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of the Human Ribosomal Protein S6 Kinase
To be Published
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2WTI
 | | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE, CHECKPOINT KINASE 2, ... | | 著者 | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | 登録日 | 2009-09-16 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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3F2A
 | | Crystal structure of human Pim-1 in complex with DAPPA | | 分子名称: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, Proto-oncogene serine/threonine-protein kinase Pim-1 | | 著者 | Qian, K. | | 登録日 | 2008-10-29 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009
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3FKL
 | | P38 kinase crystal structure in complex with RO9552 | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide | | 著者 | Kuglstatter, A, Ghate, M. | | 登録日 | 2008-12-17 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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3FKO
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2X4Z
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | | 分子名称: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | 著者 | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | | 登録日 | 2010-02-03 | | 公開日 | 2010-05-19 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2V5Q
 | | CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN | | 分子名称: | DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1 | | 著者 | Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B. | | 登録日 | 2007-07-08 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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3FL5
 | | Protein kinase CK2 in complex with the inhibitor Quinalizarin | | 分子名称: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER | | 著者 | Mazzorana, M, Franchin, C, Battistutta, R. | | 登録日 | 2008-12-18 | | 公開日 | 2009-08-18 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
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3FLS
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3FLZ
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2X4F
 | | The Crystal Structure of the human myosin light chain kinase LOC340156. | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | | 著者 | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | | 登録日 | 2010-01-29 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
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2WOU
 | | ALK5 IN COMPLEX WITH 4-((4-((2,6-dimethyl-3-pyridyl)oxy)-2-pyridyl) amino)benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE, TGF-BETA RECEPTOR TYPE-1 | | 著者 | Debreczeni, J.E, Norman, R.A, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L. | | 登録日 | 2009-07-28 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
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3FC1
 | | Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor | | 分子名称: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14 | | 著者 | Jacobs, M.D, Bellon, S. | | 登録日 | 2008-11-20 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase.
J.Med.Chem., 48, 2005
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2WTD
 | | Crystal structure of Chk2 in complex with an inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | | 著者 | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | 登録日 | 2009-09-15 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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3FHR
 | | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex | | 分子名称: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | | 著者 | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | | 登録日 | 2008-12-10 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
Protein Sci., 19, 2010
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