4US2
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![BU of 4us2 by Molmil](/molmil-images/mine/4us2) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URV
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![BU of 4urv by Molmil](/molmil-images/mine/4urv) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4V05
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![BU of 4v05 by Molmil](/molmil-images/mine/4v05) | FGFR1 in complex with AZD4547. | 分子名称: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ... | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | 登録日 | 2014-09-10 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4US1
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![BU of 4us1 by Molmil](/molmil-images/mine/4us1) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4V01
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![BU of 4v01 by Molmil](/molmil-images/mine/4v01) | FGFR1 in complex with ponatinib (co-crystallisation). | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | 登録日 | 2014-09-10 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4URW
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![BU of 4urw by Molmil](/molmil-images/mine/4urw) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URY
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![BU of 4ury by Molmil](/molmil-images/mine/4ury) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4UY9
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![BU of 4uy9 by Molmil](/molmil-images/mine/4uy9) | Structure of MLK1 kinase domain with leucine zipper 1 | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9 | 著者 | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | 登録日 | 2014-08-29 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis. Cancer Res., 76, 2016
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4ZH0
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![BU of 4zh0 by Molmil](/molmil-images/mine/4zh0) | Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD | 分子名称: | Outer membrane protein-adhesin | 著者 | Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | 登録日 | 2015-04-24 | 公開日 | 2015-08-19 | 最終更新日 | 2015-12-09 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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4ZH7
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![BU of 4zh7 by Molmil](/molmil-images/mine/4zh7) | Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA | 分子名称: | Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | 著者 | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | 登録日 | 2015-04-24 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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5MLB
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![BU of 5mlb by Molmil](/molmil-images/mine/5mlb) | Crystal structure of human RAS in complex with darpin K27 | 分子名称: | DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2016-12-06 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS To Be Published
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5MLA
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![BU of 5mla by Molmil](/molmil-images/mine/5mla) | Crystal structure of human RAS in complex with darpin K55 | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2016-12-06 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS To Be Published
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5L6P
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![BU of 5l6p by Molmil](/molmil-images/mine/5l6p) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6) | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | 著者 | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | 登録日 | 2016-05-30 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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5L6O
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![BU of 5l6o by Molmil](/molmil-images/mine/5l6o) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | 著者 | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | 登録日 | 2016-05-30 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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6H46
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![BU of 6h46 by Molmil](/molmil-images/mine/6h46) | Human KRAS in complex with darpin K13 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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6H47
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![BU of 6h47 by Molmil](/molmil-images/mine/6h47) | Human KRAS in complex with darpin K19 | 分子名称: | GTPase KRas, SULFATE ION, darpin K19 | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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4US0
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![BU of 4us0 by Molmil](/molmil-images/mine/4us0) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URZ
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![BU of 4urz by Molmil](/molmil-images/mine/4urz) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URX
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![BU of 4urx by Molmil](/molmil-images/mine/4urx) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ... | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4V04
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![BU of 4v04 by Molmil](/molmil-images/mine/4v04) | FGFR1 in complex with ponatinib. | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | 登録日 | 2014-09-10 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4URU
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![BU of 4uru by Molmil](/molmil-images/mine/4uru) | The crystal structure of H-Ras and SOS in complex with ligands | 分子名称: | 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | 登録日 | 2014-07-02 | 公開日 | 2015-03-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4UXQ
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![BU of 4uxq by Molmil](/molmil-images/mine/4uxq) | FGFR4 in complex with Ponatinib | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | 登録日 | 2014-08-27 | 公開日 | 2014-12-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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7AW0
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![BU of 7aw0 by Molmil](/molmil-images/mine/7aw0) | MerTK kinase domain in complex with purine inhibitor | 分子名称: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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4UYA
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![BU of 4uya by Molmil](/molmil-images/mine/4uya) | Structure of MLK4 kinase domain with ATPgammaS | 分子名称: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | 著者 | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | 登録日 | 2014-08-29 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis. Cancer Res., 76, 2016
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7AVY
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![BU of 7avy by Molmil](/molmil-images/mine/7avy) | MerTK kinase domain in complex with quinazoline-based inhbitor | 分子名称: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | 登録日 | 2020-11-06 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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