8PQK
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8PQG
| c-KIT T670I mutated kinase domain in complex with avapritinib | Descriptor: | (1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQE
| c-KIT kinase domain in complex with avapritinib derivative 11 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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4I94
| Structure of BSK8 in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase At5g41260 | Authors: | Gruetter, C, Rauh, D. | Deposit date: | 2012-12-04 | Release date: | 2013-08-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture J.Mol.Biol., 425, 2013
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4I93
| Structure of the BSK8 kinase domain (SeMet labeled) | Descriptor: | Probable serine/threonine-protein kinase At5g41260 | Authors: | Gruetter, C, Rauh, D. | Deposit date: | 2012-12-04 | Release date: | 2013-08-14 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture J.Mol.Biol., 425, 2013
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4I92
| Structure of the BSK8 kinase domain | Descriptor: | CHLORIDE ION, Probable serine/threonine-protein kinase At5g41260 | Authors: | Gruetter, C, Rauh, D. | Deposit date: | 2012-12-04 | Release date: | 2013-08-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture J.Mol.Biol., 425, 2013
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4FIC
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7A2A
| Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, CHLORIDE ION, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-17 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands. Acs Med.Chem.Lett., 11, 2020
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7A6I
| Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6K
| Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7AH3
| Kinase domain of cSrc in complex with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase To Be Published
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7B85
| Crystal Structure of EGFR-WT in Complex with TAK-788 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-12-12 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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6QG4
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6QFR
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6QFL
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6QHO
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6QFT
| Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-10 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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6QG7
| Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1k | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-10 | Release date: | 2019-05-22 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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6QHR
| Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-17 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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3F3T
| Kinase domain of cSrc in complex with inhibitor RL38 (Type III) | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Gruetter, C, Klueter, S, Getlik, M, Rauh, D. | Deposit date: | 2008-10-31 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new screening assay for allosteric inhibitors of cSrc Nat.Chem.Biol., 5, 2009
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3F3U
| Kinase domain of cSrc in complex with inhibitor RL37 (Type III) | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Gruetter, C, Klueter, S, Getlik, M, Rauh, D. | Deposit date: | 2008-10-31 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new screening assay for allosteric inhibitors of cSrc Nat.Chem.Biol., 5, 2009
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3F3V
| Kinase domain of cSrc in complex with inhibitor RL45 (Type II) | Descriptor: | 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Grutter, C, Kluter, S, Getlik, M, Rauh, D. | Deposit date: | 2008-10-31 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
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3F3W
| Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II) | Descriptor: | 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Grutter, C, Kluter, S, Getlik, M, Rauh, D. | Deposit date: | 2008-10-31 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
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3G5D
| Kinase domain of cSrc in complex with Dasatinib | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Grutter, C, Kluter, S, Rauh, D. | Deposit date: | 2009-02-05 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
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3GCV
| Human P38 MAP Kinase in Complex with RL62 | Descriptor: | 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 | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-02-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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