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 | Descriptor: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | 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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7AAZ
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![BU of 7aaz by Molmil](/molmil-images/mine/7aaz) | Crystal structure of MerTK in complex with a type 1.5 aminopyridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide, CHLORIDE ION, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-11-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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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 | Descriptor: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | 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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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 | Descriptor: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 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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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 | Descriptor: | 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | 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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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 | Descriptor: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | 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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4ZH0
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![BU of 4zh0 by Molmil](/molmil-images/mine/4zh0) | Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD | Descriptor: | Outer membrane protein-adhesin | Authors: | Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 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 | Descriptor: | GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | 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 | Descriptor: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | 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. | Descriptor: | 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, ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | 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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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 | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 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). | Descriptor: | 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, ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | 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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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 | Descriptor: | 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ... | Authors: | 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. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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4V05
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![BU of 4v05 by Molmil](/molmil-images/mine/4v05) | FGFR1 in complex with AZD4547. | Descriptor: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | 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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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) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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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 | Descriptor: | DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | 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. | Deposit date: | 2016-12-06 | Release date: | 2017-12-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | 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 | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2016-12-06 | Release date: | 2017-12-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | 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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3ZFX
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![BU of 3zfx by Molmil](/molmil-images/mine/3zfx) | Crystal structure of EphB1 | Descriptor: | EPHRIN TYPE-B RECEPTOR 1, SULFATE ION | Authors: | Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K. | Deposit date: | 2012-12-12 | Release date: | 2014-01-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains Protein Sci., 23, 2014
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3ZFY
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![BU of 3zfy by Molmil](/molmil-images/mine/3zfy) | Crystal structure of EphB3 | Descriptor: | EPHRIN TYPE-B RECEPTOR 3 | Authors: | Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K. | Deposit date: | 2012-12-12 | Release date: | 2014-01-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains Protein Sci., 23, 2014
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5MJB
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![BU of 5mjb by Molmil](/molmil-images/mine/5mjb) | Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | Deposit date: | 2016-11-30 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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5MJA
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![BU of 5mja by Molmil](/molmil-images/mine/5mja) | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | Deposit date: | 2016-11-30 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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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 | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | Authors: | 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. | Deposit date: | 2018-07-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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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 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2018-07-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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