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6TFZ
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BU of 6tfz by Molmil
Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2019-11-14
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
6TFY
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BU of 6tfy by Molmil
Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2019-11-14
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
7A6I
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BU of 7a6i by Molmil
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
7A6J
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BU of 7a6j by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ...
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
7A6K
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BU of 7a6k by Molmil
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
7B85
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BU of 7b85 by Molmil
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
6ZMY
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BU of 6zmy by Molmil
Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in monoclinic form at 1.66 Angstrom resolution
Descriptor: Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pandian, R, Shobana, N, Sundaresan, S.S, Thangaraj, V, Sayed, Y, Ponnuswamy, M.N.
Deposit date:2020-07-04
Release date:2020-07-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties.
Acta Crystallogr D Struct Biol, 77, 2021
6KR5
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BU of 6kr5 by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase isoform 3 from Entamoeba histolytica
Descriptor: Cysteine synthase 3, PYRIDOXAL-5'-PHOSPHATE
Authors:Dharavath, S, Gourinath, S.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Crystal structure of O-Acetylserine sulfhydralase (OASS) isoform 3 from Entamoeba histolytica: Pharmacophore-based virtual screening and validation of novel inhibitors.
Eur.J.Med.Chem., 192, 2020
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