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PDB: 163 件

6TTV
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BU of 6ttv by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 3 (ASI_M3M_138)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)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 (2.14 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
7ACD
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BU of 7acd by Molmil
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
7OEG
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BU of 7oeg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b
分子名称: (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEL
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BU of 7oel by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ097
分子名称: ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEF
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BU of 7oef by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ038
分子名称: 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEI
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BU of 7oei by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ083
分子名称: (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OED
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BU of 7oed by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
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
7OEM
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BU of 7oem by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ120
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{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2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6ZD7
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BU of 6zd7 by Molmil
Crystal structure of YTHDC1 T379V mutant complex with m6A
分子名称: N-methyladenosine, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 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
6ZCN
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BU of 6zcn by Molmil
Crystal structure of YTHDC1 with m6A
分子名称: N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-06-11
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 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
6ZD4
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BU of 6zd4 by Molmil
Crystal structure of YTHDC1 S378A mutant
分子名称: SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 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
6ZCM
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BU of 6zcm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_180
分子名称: 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-06-11
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 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
6ZD3
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BU of 6zd3 by Molmil
Crystal structure of YTHDC1 M438A mutant
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 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
6ZD5
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BU of 6zd5 by Molmil
Crystal structure of YTHDC1 S378A mutant complex with m6A
分子名称: N-methyladenosine, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 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
6ZDA
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BU of 6zda by Molmil
Crystal structure of YTHDC1 M438A mutant complex with m6A
分子名称: N-methyladenosine, 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 (1.3 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
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
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
7OEK
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BU of 7oek by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ091
分子名称: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEE
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BU of 7oee by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEJ
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BU of 7oej by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ090
分子名称: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEH
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BU of 7oeh by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ059b
分子名称: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-05-03
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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
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2024-01-24
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

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件を2024-09-11に公開中

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