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1ZX1
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BU of 1zx1 by Molmil
Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
Descriptor: 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ...
Authors:Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-06-06
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
2C8I
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BU of 2c8i by Molmil
Complex Of Echovirus Type 12 With Domains 1, 2, 3 and 4 Of Its Receptor Decay Accelerating Factor (Cd55) By Cryo Electron Microscopy At 16 A
Descriptor: COMPLEMENT DECAY-ACCELERATING FACTOR, ECHOVIRUS 11 COAT PROTEIN VP1, ECHOVIRUS 11 COAT PROTEIN VP2, ...
Authors:Pettigrew, D.M, Williams, D.T, Kerrigan, D, Evans, D.J, Lea, S.M, Bhella, D.
Deposit date:2005-12-05
Release date:2006-01-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Structural and Functional Insights Into the Interaction of Echoviruses and Decay-Accelerating Factor.
J.Biol.Chem., 281, 2006
9GC5
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BU of 9gc5 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
Descriptor: 1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor, SULFATE ION
Authors:Hargreaves, D.
Deposit date:2024-08-01
Release date:2025-02-12
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9HBO
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BU of 9hbo by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R]
Descriptor: 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Felisberto-Rodrigues, C, Hargreaves, D.
Deposit date:2024-11-07
Release date:2025-02-05
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
7AEM
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BU of 7aem by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
7AEI
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BU of 7aei by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-06-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
9GDV
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BU of 9gdv by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Authors:Hargreaves, D.
Deposit date:2024-08-06
Release date:2025-02-12
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9GC6
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BU of 9gc6 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
Descriptor: 1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2024-08-01
Release date:2025-02-12
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9GC4
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BU of 9gc4 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
Descriptor: 1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2024-08-01
Release date:2025-02-12
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025

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