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PDB: 157 件
7ACD
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Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2020-09-10
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
6ZD8
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BU of 6zd8 by Molmil
Crystal structure of YTHDC1 T379V mutant
分子名称: SULFATE ION, YTHDC1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-14
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
分子名称: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
分子名称: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-31
公開日2020-03-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6ZOT
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BU of 6zot by Molmil
Crystal structure of YTHDF3 YTH domain in complex with m6A RNA
分子名称: RNA, YTH domain-containing family protein 3
著者Bedi, R.K, Caflisch, A.
登録日2020-07-07
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Dynamic Insights into Redundant Function of YTHDF Proteins.
J.Chem.Inf.Model., 60, 2020
8BS4
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BU of 8bs4 by Molmil
Crystal structure of YTHDF1 YTH domain dimer
分子名称: ACETATE ION, GLYCEROL, YTH domain-containing family protein 1
著者Bedi, R.K, Caflisch, A.
登録日2022-11-24
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of YTHDF1 YTH domain dimer
To Be Published
8BS6
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BU of 8bs6 by Molmil
Crystal structure of YTHDF3 disulfide mutant (closed conformation)
分子名称: YTH domain-containing family protein 3
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2022-11-24
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of YTHDF3 disulfide mutant (closed conformation)
To Be Published
8BS5
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BU of 8bs5 by Molmil
Crystal structure of YTHDF3 YTH domain open conformation
分子名称: DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, YTH domain-containing family protein 3
著者Bedi, R.K, Caflisch, A.
登録日2022-11-24
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of YTHDF3 YTH domain open conformation
To Be Published
9H35
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BU of 9h35 by Molmil
Crystal structure of the YTHDC2 YTH domain
分子名称: 3'-5' RNA helicase YTHDC2
著者Bedi, R.K, Caflisch, A.
登録日2024-10-15
公開日2024-10-30
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of the YTHDC2 YTH domain
To Be Published
9H36
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BU of 9h36 by Molmil
Crystal structure of the YTHDC2 YTH domain
分子名称: 3'-5' RNA helicase YTHDC2
著者Bedi, R.K, Caflisch, A.
登録日2024-10-15
公開日2024-10-30
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of the YTHDC2 YTH domain
To Be Published
7OQP
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BU of 7oqp by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ113
分子名称: ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-06-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7P88
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Crystal structure of YTHDC1 with compound YLI_DC1_002
分子名称: 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7OQO
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BU of 7oqo by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ111
分子名称: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-06-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OQL
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BU of 7oql by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ094
分子名称: (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-06-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7P8B
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BU of 7p8b by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_006
分子名称: 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7P8A
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BU of 7p8a by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_003
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N},9-dimethylpurin-6-amine
著者Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7P87
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BU of 7p87 by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_001
分子名称: N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7P8F
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BU of 7p8f by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_008
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2021-07-21
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJP
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BU of 7pjp by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_226
分子名称: 5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ9
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BU of 7pj9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_232
分子名称: 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJQ
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BU of 7pjq by Molmil
Crystal structure of YTHDC1 with compound T96
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJA
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Crystal structure of YTHDC1 with compound PSI_DC1_002
分子名称: 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ7
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BU of 7pj7 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_222
分子名称: N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJB
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Crystal structure of YTHDC1 with compound PSI_DC1_004
分子名称: (R)-homoproline, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022

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