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5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
8HV2
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BU of 8hv2 by Molmil
Crystal structure of EGFR_wt in complex with covalently bound fragment 4
分子名称: Epidermal growth factor receptor, ~{N}-pyridin-2-ylprop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV6
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BU of 8hv6 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 8
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV7
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BU of 8hv7 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 9
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV1
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BU of 8hv1 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 1
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV5
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BU of 8hv5 by Molmil
Crystal structure of EGFR_DMX in complex with compound 7
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV4
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BU of 8hv4 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV8
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BU of 8hv8 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 10
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV3
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BU of 8hv3 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV9
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BU of 8hv9 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 12
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
7QWL
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BU of 7qwl by Molmil
TMEM106B filaments with Fold IIb from Multiple system atrophy (case 19)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QWM
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BU of 7qwm by Molmil
TMEM106B filaments with Fold III from Multiple system atrophy (case 17)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QVF
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BU of 7qvf by Molmil
TMEM106B filaments with Fold I-d from Multiple system atrophy (case 18)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-21
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QWG
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BU of 7qwg by Molmil
TMEM106B filaments with Fold IIa from Multiple system atrophy (case 19)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-25
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
7QVC
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BU of 7qvc by Molmil
TMEM106B filaments with Fold I from Alzheimer's disease (case 1)
分子名称: Transmembrane protein 106B
著者Lovestam, S, Schweighauser, M, Scheres, S.H.W.
登録日2022-01-21
公開日2022-03-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Age-dependent formation of TMEM106B amyloid filaments in human brains.
Nature, 605, 2022
6OVA
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BU of 6ova by Molmil
Crystal Structure of TYK2 with novel pyrrolidinone inhibitor
分子名称: 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J, Hoffman, I.D.
登録日2019-05-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7NCJ
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BU of 7ncj by Molmil
Type 2AB alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCG
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BU of 7ncg by Molmil
Type 2A alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 2
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCI
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BU of 7nci by Molmil
Type 2B alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCH
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BU of 7nch by Molmil
Type 1B alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCK
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BU of 7nck by Molmil
Type 3 alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 5
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCA
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BU of 7nca by Molmil
Type 1A alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 2
分子名称: Alpha-synuclein
著者Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
登録日2021-01-28
公開日2021-02-24
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
1N27
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BU of 1n27 by Molmil
Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3
分子名称: Hepatoma-derived growth factor, related protein 3
著者Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-10-22
公開日2003-12-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PWWP domain of the hepatoma-derived growth factor family.
Protein Sci., 14, 2005
1UGO
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BU of 1ugo by Molmil
Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5
分子名称: Bcl2-associated athanogene 5
著者Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-06-17
公開日2004-08-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010

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