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4G5J
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BU of 4g5j by Molmil
Crystal structure of EGFR kinase in complex with BIBW2992
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Authors:Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R.
Deposit date:2012-07-18
Release date:2012-08-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
4G5P
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BU of 4g5p by Molmil
Crystal structure of EGFR kinase T790M in complex with BIBW2992
Descriptor: Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Authors:Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R.
Deposit date:2012-07-18
Release date:2012-08-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
1EM0
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BU of 1em0 by Molmil
COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN
Descriptor: DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
Authors:Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R.
Deposit date:2000-03-14
Release date:2000-08-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
5E1S
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BU of 5e1s by Molmil
The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578
Descriptor: (5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine, Insulin receptor
Authors:Kessler, D, Zahn, S, Sanderson, M, Wolkerstorfer, B.
Deposit date:2015-09-30
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:BI 885578, a Novel IGF1R/INSR Tyrosine Kinase Inhibitor with Pharmacokinetic Properties That Dissociate Antitumor Efficacy and Perturbation of Glucose Homeostasis.
Mol.Cancer Ther., 14, 2015
7AVT
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BU of 7avt by Molmil
Crystal structure of SOS1 in complex with compound 7
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVI
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BU of 7avi by Molmil
Crystal structure of SOS1 in complex with compound 2
Descriptor: 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-05
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVS
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BU of 7avs by Molmil
Crystal structure of SOS1 in complex with compound 6
Descriptor: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVU
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BU of 7avu by Molmil
Crystal structure of SOS1 in complex with compound 8
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVL
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BU of 7avl by Molmil
Crystal structure of SOS1 in complex with compound 4
Descriptor: 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-05
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
7AVV
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BU of 7avv by Molmil
Crystal structure of SOS1 in complex with compound 9
Descriptor: IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-11-06
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021

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