2WMX
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | 登録日 | 2009-07-03 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMU
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | 登録日 | 2009-07-03 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WTC
 | | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | | 分子名称: | 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | 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 (3 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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3FYK
 | | Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) | | 分子名称: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2 | | 著者 | Kurumbail, R.G, Caspers, N. | | 登録日 | 2009-01-22 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
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3D5U
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2W4O
 | | Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide) | | 分子名称: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV | | 著者 | Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S. | | 登録日 | 2008-11-28 | | 公開日 | 2009-01-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide)
To be Published
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2WQN
 | | Structure of ADP-bound human Nek7 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICKEL (II) 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 (2.3 Å) | | 主引用文献 | An Autoinhibitory Tyrosine Motif in the Cell-Cycle- Regulated Nek7 Kinase is Released Through Binding of Nek9.
Mol.Cell, 36, 2009
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3COM
 | | Crystal structure of Mst1 kinase | | 分子名称: | Serine/threonine-protein kinase 4 | | 著者 | Atwell, S, Burley, S.K, Dickey, M, Leon, B, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2008-03-28 | | 公開日 | 2008-04-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of Mst1 kinase.
To be Published
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2WTW
 | | Aurora-A Inhibitor Structure (2nd crystal form) | | 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 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | | 著者 | Kosmopoulou, M, Bayliss, R. | | 登録日 | 2009-09-24 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.302 Å) | | 主引用文献 | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
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3CY2
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II | | 分子名称: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-04-25 | | 公開日 | 2008-07-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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2X9E
 | | HUMAN MPS1 IN COMPLEX WITH NMS-P715 | | 分子名称: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | 著者 | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | | 登録日 | 2010-03-17 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
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2X6E
 | | Aurora-A bound to an inhibitor | | 分子名称: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Kosmopoulou, M, Bayliss, R. | | 登録日 | 2010-02-17 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
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3FXZ
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3FV8
 | | JNK3 bound to piperazine amide inhibitor, SR2774. | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10 | | 著者 | Habel, J.E. | | 登録日 | 2009-01-15 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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2WQE
 | | Structure of S155R Aurora-A somatic mutant | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Bibby, R, Bayliss, R. | | 登録日 | 2009-08-20 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Cancer Associated Aurora-A Mutant is Mislocalised and Misregulated due to Loss of Interaction with Tpx2.
J.Biol.Chem., 284, 2009
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2WO6
 | | Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus substrate peptide | | 分子名称: | ARTIFICIAL CONSENSUS SEQUENCE, CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, ... | | 著者 | Roos, A.K, Soundararajan, M, Elkins, J.M, Fedorov, O, Eswaran, J, Phillips, C, Pike, A.C.W, Ugochukwu, E, Muniz, J.R.C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A, Bountra, C, Knapp, S. | | 登録日 | 2009-07-22 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
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2X7G
 | | Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, PURVALANOL B, ... | | 著者 | Pike, A.C.W, Savitsky, P, Fedorov, O, Krojer, T, Ugochukwu, E, von Delft, F, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | | 登録日 | 2010-02-26 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of Human Serine-Arginine-Rich Protein- Specific Kinase 2 (Srpk2) Bound to Purvalanol B
To be Published
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2X8D
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2010-03-08 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X7F
 | | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | | 分子名称: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | | 著者 | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | 登録日 | 2010-02-26 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
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3G2F
 | | Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | 著者 | Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2009-01-31 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension.
Sci Rep, 9, 2019
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3G9L
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3GC9
 | | The structure of p38beta C119S, C162S in complex with a dihydroquinazolinone inhibitor | | 分子名称: | 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 11, SODIUM ION, ... | | 著者 | Scapin, G, Patel, S.B. | | 登録日 | 2009-02-21 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
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3GCV
 | | Human P38 MAP Kinase in Complex with RL62 | | 分子名称: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2009-02-22 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
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3GB2
 | | GSK3beta inhibitor complex | | 分子名称: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | | 著者 | Mol, C.D. | | 登録日 | 2009-02-18 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
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3FZ1
 | | Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2) | | 分子名称: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, Cell division protein kinase 2 | | 著者 | Kurumbail, R.G, Caspers, N. | | 登録日 | 2009-01-23 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
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