8JF4
 
 | | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | | 著者 | Zhu, C.J. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.89288354 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8JG8
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8I0M
 | | Structure of CDK6 in complex with inhibitor | | 分子名称: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | 著者 | Jiang, C, Ye, Y, Huang, Y. | | 登録日 | 2023-01-11 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7772 Å) | | 主引用文献 | Structure of CDK6 in complex with inhibitor
To Be Published
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8OF5
 | | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Miles, J.A, Hammond, K.L.R, Bayliss, R. | | 登録日 | 2023-03-14 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
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8JUP
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8IE6
 | | Crystal structure of DAPK1 in complex with pinostilbene | | 分子名称: | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION | | 著者 | Yokoyama, T. | | 登録日 | 2023-02-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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8IE5
 | | Crystal structure of DAPK1 in complex with oxyresveratrol | | 分子名称: | Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol | | 著者 | Yokoyama, T. | | 登録日 | 2023-02-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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8IE8
 | | Crystal structure of DAPK1 in complex with isorhapontigenin | | 分子名称: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION | | 著者 | Yokoyama, T. | | 登録日 | 2023-02-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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8IE7
 | | Crystal structure of DAPK1 in complex with pterostilbene | | 分子名称: | Death-associated protein kinase 1, Pterostilbene, SULFATE ION | | 著者 | Yokoyama, T. | | 登録日 | 2023-02-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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8OKU
 | | Salt-Inducible Kinase 3 in complex with an inhibitor | | 分子名称: | Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide | | 著者 | Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P. | | 登録日 | 2023-03-29 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
J.Med.Chem., 67, 2024
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8JUV
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8OY2
 | | Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260 | | 分子名称: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione, Cyclin-dependent kinase 2, GLYCEROL | | 著者 | Kordes, S, Harvey, C.J.B. | | 登録日 | 2023-05-03 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.618 Å) | | 主引用文献 | Resistance gene-guided genome mining reveals the roseopurpurins as inhibitors of cyclin-dependent kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8P05
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 | | 分子名称: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Kraemer, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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8P08
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | 分子名称: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | 著者 | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.
J.Med.Chem., 66, 2023
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8P07
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 分子名称: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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8P04
 | | Crystal structure of human CLK1 in complex with Leucettinib-92 | | 分子名称: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | 著者 | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Leucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
J.Med.Chem., 66, 2023
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8P7J
 | | Crystal structure of MAP2K6 with a covalent compound GCL96 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide | | 著者 | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-30 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of MAP2K6 with a covalent compound GCL96
To Be Published
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8P4Z
 | | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | | 分子名称: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | | 著者 | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | | 登録日 | 2023-05-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
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8P06
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 分子名称: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-05-09 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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1CM8
 | | PHOSPHORYLATED MAP KINASE P38-GAMMA | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORYLATED MAP KINASE P38-GAMMA | | 著者 | Bellon, S, Fitzgibbon, M.J, Fox, T, Hsiao, H.M, Wilson, K.P. | | 登録日 | 1999-05-17 | | 公開日 | 2000-05-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The structure of phosphorylated p38gamma is monomeric and reveals a conserved activation-loop conformation.
Structure Fold.Des., 7, 1999
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1CKP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B | | 分子名称: | 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B | | 著者 | Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H. | | 登録日 | 1998-07-14 | | 公開日 | 1999-01-13 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
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1DI9
 | | THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | | 分子名称: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE, P38 KINASE | | 著者 | Shewchuk, L, Hassell, A, Kuyper, L.F. | | 登録日 | 1999-11-29 | | 公開日 | 2000-11-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
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1DAW
 | | CRYSTAL STRUCTURE OF A BINARY COMPLEX OF PROTEIN KINASE CK2 (ALPHA-SUBUNIT) AND MG-AMPPNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN KINASE CK2 | | 著者 | Niefind, K, Puetter, M, Guerra, B, Issinger, O.G, Schomburg, D. | | 登録日 | 1999-11-01 | | 公開日 | 2000-05-03 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | GTP plus water mimic ATP in the active site of protein kinase CK2.
Nat.Struct.Biol., 6, 1999
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1DS5
 | | DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME. | | 分子名称: | ADENOSINE MONOPHOSPHATE, CASEIN KINASE, ALPHA CHAIN, ... | | 著者 | Battistutta, R, Sarno, S, De Moliner, E, Marin, O, Zanotti, G, Pinna, L.A. | | 登録日 | 2000-01-07 | | 公開日 | 2001-01-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | | 主引用文献 | The crystal structure of the complex of Zea mays alpha subunit with a fragment of human beta subunit provides the clue to the architecture of protein kinase CK2 holoenzyme.
Eur.J.Biochem., 267, 2000
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1E1V
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