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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2024-01-31
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
6G8F
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BU of 6g8f by Molmil
Crystal structure of UTX complexed with GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-04-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
6FUK
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BU of 6fuk by Molmil
Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Esposito, C, Sledz, P, Caflisch, A.
登録日2018-02-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
6GLU
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BU of 6glu by Molmil
Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献hMTH1 D120N in complex with LW14
To Be Published
6GLF
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BU of 6glf by Molmil
Crystal structure of hMTH1 F27A in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献hMTH1 F27A
To Be Published
6GLL
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BU of 6gll by Molmil
Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献hMTH1 N33A in complex with LW14
To Be Published
6GLE
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BU of 6gle by Molmil
Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献hMTH1 in complex with TH scaffold 1
To Be Published
6GLK
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BU of 6glk by Molmil
Crystal structure of hMTH1 N33A in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献in progress
To Be Published
6GLR
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BU of 6glr by Molmil
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献hMTH1 N33G in complex with TH scaffold 1
To Be Published
6GLQ
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BU of 6glq by Molmil
Crystal structure of hMTH1 N33G in complex with LW14 in the absence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献hMTH1 N33G in complex with LW14.
To Be Published
6GLG
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BU of 6glg by Molmil
Crystal structure of hMTH1 F27A in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.313 Å)
主引用文献hMTH1 F27A in complex with LW14
To Be Published
6GLM
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BU of 6glm by Molmil
Crystal structure of hMTH1 N33A in complex with LW14 in the absence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献hMTH1 N33A in complex with LW14
To Be Published
6GLS
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BU of 6gls by Molmil
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献hMTH1 N33G in complex with TH scaffold 1.
To Be Published
6GLH
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BU of 6glh by Molmil
Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献hMTH1 F27A in complex with LW14
To Be Published
6GLP
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BU of 6glp by Molmil
Crystal structure of hMTH1 N33G in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献hMTH1 N33G in complex with LW14
To Be Published
6GLJ
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BU of 6glj by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献hMTH1 F27A in complex with TH scaffold 1.
To Be Published
6GLO
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BU of 6glo by Molmil
Crystal structure of hMTH1 N33G in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献hMTH1 N33G
To Be Published
6GLV
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BU of 6glv by Molmil
Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献hMTH1 D120N in complex with TH scaffold 1
To Be Published
6GLI
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BU of 6gli by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献hMTH1 F27A in complex with TH scaffold 1
To Be Published
6GLN
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BU of 6gln by Molmil
Crystal structure of hMTH1 N33A in complex with TH scaffold 1 in the absence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献hMTH1 N33A in complex with TH scaffold 1
To Be Published
6GLT
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BU of 6glt by Molmil
Crystal structure of hMTH1 D120N in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, DIMETHYL SULFOXIDE
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献in progress
To Be Published
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
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
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
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

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