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PDB: 157 件
8Q3G
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BU of 8q3g by Molmil
Crystal structure of YTHDC1 in complex with Compound 23 (ZA_385)
分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-04
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4W
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BU of 8q4w by Molmil
Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a)
分子名称: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q37
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BU of 8q37 by Molmil
Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312)
分子名称: 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4M
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BU of 8q4m by Molmil
Crystal structure of YTHDC1 in complex with Compound 25 (ZA_349)
分子名称: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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
7NHI
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BU of 7nhi by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ004
分子名称: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-09-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NIA
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BU of 7nia by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ059a
分子名称: 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-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2021-02-11
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
7NI9
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BU of 7ni9 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ058
分子名称: ACETATE ION, N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-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2021-02-11
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
7NHV
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BU of 7nhv by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ016
分子名称: (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHH
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BU of 7nhh by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ002
分子名称: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI7
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BU of 7ni7 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ031
分子名称: (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)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2021-02-11
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
7NHG
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BU of 7nhg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041
分子名称: ACETATE ION, N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-10-16
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
7NID
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BU of 7nid by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ078
分子名称: (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-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2021-02-11
公開日2021-10-20
最終更新日2024-10-16
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
7NHJ
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BU of 7nhj by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound DHU_M3M_154
分子名称: (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-10
公開日2021-10-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI8
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BU of 7ni8 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ040a
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2021-02-11
公開日2021-10-20
最終更新日2024-10-16
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
7O2X
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BU of 7o2x by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T180
分子名称: ACETATE ION, N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-03-31
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex with compound T180
To Be Published
7O2F
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BU of 7o2f by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 22 (UZH2)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O2E
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BU of 7o2e by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 21 (ADO_AD_089)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O09
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BU of 7o09 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 7 (ADO_AC_074)
分子名称: 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-25
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O08
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BU of 7o08 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ADO_AB_075)
分子名称: 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-25
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O0L
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BU of 7o0l by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093)
分子名称: 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O29
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BU of 7o29 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021

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