1JES
 
 | | Crystal Structure of a Copper-Mediated Base Pair in DNA | | 分子名称: | 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION | | 著者 | Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G. | | 登録日 | 2001-06-18 | | 公開日 | 2001-11-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of a Copper-Mediated Base Pair in DNA
J.Am.Chem.Soc., 123, 2001
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3PUP
 | | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | | 分子名称: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | | 著者 | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | | 登録日 | 2010-12-06 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
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2WNA
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2XC6
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2YAK
 | | Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV) | | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | | 著者 | Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E. | | 登録日 | 2011-02-23 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
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3M1S
 | | Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3 | | 分子名称: | Glycogen synthase kinase-3 beta, Ruthenium pyridocarbazole | | 著者 | Atilla-Gokcumen, G.E, Di Costanzo, L, Zimmermann, G, Meggers, E. | | 登録日 | 2010-03-05 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.134 Å) | | 主引用文献 | Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta
J.Biol.Inorg.Chem., 16, 2011
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2OI4
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3Q4C
 | | Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 | | 分子名称: | Serine/threonine-protein kinase B-raf, [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) | | 著者 | Xie, P, Streu, C, Qin, J, Pregman, H, Pagano, N, Meggers, E, Marmorstein, R. | | 登録日 | 2010-12-23 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase.
Biochemistry, 48, 2009
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3WE8
 | | Pim-1 kinase in complex with Ruthenium-based inhibitor | | 分子名称: | Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium, SULFATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Waehler, K, Kraeling, K, Steuber, H, Meggers, E. | | 登録日 | 2013-07-02 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor
ChemistryOpen, 2, 2013
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3WHW
 | | MTH1 in complex with Ruthenium-based inhibitor | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium | | 著者 | Streib, M, Kraeling, K, Richter, K, Steuber, H, Meggers, E. | | 登録日 | 2013-09-03 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4AS0
 | | Cyclometalated Phthalimides as Protein Kinase Inhibitors | | 分子名称: | PHTALIMIDE-RUTHENIUM COMPLEX, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | 著者 | Blanck, S, Geisselbrecht, Y, Middel, S, Mietke, T, Harms, K, Essen, L.-O, Meggers, E. | | 登録日 | 2012-04-27 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition.
Dalton Trans, 41, 2012
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3BWF
 | | Crystal structure of the human Pim1 in complex with an osmium compound | | 分子名称: | PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION | | 著者 | Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E. | | 登録日 | 2008-01-09 | | 公開日 | 2008-06-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Similar biological activities of two isostructural ruthenium and osmium complexes.
Chemistry, 14, 2008
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2JLD
 | | Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 | | 分子名称: | GLYCOGEN SYNTHASE KINASE-3 BETA, PEPTIDE (ALA-GLY-GLY-ALA-ALA-ALA-ALA-ALA), RUTHENIUM PYRIDOCARBAZOLE | | 著者 | Atilla-Gokcumen, G.E, Pagano, N, Streu, C, Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E. | | 登録日 | 2008-09-08 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3.
Chembiochem, 9, 2008
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2JJA
 | | Crystal structure of GNA with synthetic copper base pair | | 分子名称: | COBALT HEXAMMINE(III), COPPER (II) ION, GNA, ... | | 著者 | Schlegel, M.K, Essen, L.-O, Meggers, E. | | 登録日 | 2008-03-28 | | 公開日 | 2008-07-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Duplex Structure of a Minimal Nucleic Acid.
J.Am.Chem.Soc., 130, 2008
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3FY0
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3FXZ
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6GEM
 | | FeII-Dependent Halogenase Wi-WelO15 | | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, Oxidoreductase | | 著者 | Srinivasan, V. | | 登録日 | 2018-04-26 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.462 Å) | | 主引用文献 | Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)-H Chlorination
ChemRxiv, 2019
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4RLP
 | | Human p70s6k1 with ruthenium-based inhibitor FL772 | | 分子名称: | CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1 | | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | 登録日 | 2014-10-17 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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4RLO
 | | Human p70s6k1 with ruthenium-based inhibitor EM5 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | 登録日 | 2014-10-17 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.527 Å) | | 主引用文献 | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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2IWI
 | | CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | | 分子名称: | RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2 | | 著者 | Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S. | | 登録日 | 2006-06-30 | | 公開日 | 2006-08-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PLoS ONE, 4, 2009
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4DAW
 | | Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex | | 分子名称: | Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium | | 著者 | Maksimoska, J, Marmorstein, R. | | 登録日 | 2012-01-13 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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3CSF
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3CST
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