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PDB: 380 results

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)
Descriptor: 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, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7QYO
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BU of 7qyo by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79
Descriptor: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.983 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QVT
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BU of 7qvt by Molmil
BAZ2A bromodomain in complex with picolinamide derivative fragment 13
Descriptor: 1,2-ETHANEDIOL, 4-piperidin-4-yloxypyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-23
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QXL
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BU of 7qxl by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77
Descriptor: 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QYE
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BU of 7qye by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78
Descriptor: 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QYV
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BU of 7qyv by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 109
Descriptor: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-29
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
6YL0
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BU of 6yl0 by Molmil
Crystal structure of YTHDC1 with compound T_96
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1, ...
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-06
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of YTHDC1 with compound T_96
To Be Published
7O2X
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BU of 7o2x by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T180
Descriptor: 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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-03-31
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the human METTL3-METTL14 complex with compound T180
To Be Published
6YM8
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BU of 6ym8 by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_002
Descriptor: 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Li, Y, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of YTHDC1 with compound YLI_DC1_002
To Be Published
8Q2X
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BU of 8q2x by Molmil
Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294)
Descriptor: 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294)
To Be Published
8Q2Q
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BU of 8q2q by Molmil
Crystal structure of YTHDC1 in complex with Compound 2b (YL_32)
Descriptor: 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 2b (YL_32)
To Be Published
8Q4W
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BU of 8q4w by Molmil
Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a)
Descriptor: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a)
To Be Published
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
Descriptor: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
To Be Published
8Q32
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BU of 8q32 by Molmil
Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
To Be Published
8Q31
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BU of 8q31 by Molmil
Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341)
Descriptor: 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341)
To Be Published
8Q4V
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BU of 8q4v by Molmil
Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
Descriptor: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
To Be Published
8Q2S
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BU of 8q2s by Molmil
Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232)
Descriptor: 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232)
To Be Published
8Q2T
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BU of 8q2t by Molmil
Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
Descriptor: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
To Be Published
8Q2W
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BU of 8q2w by Molmil
Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
Descriptor: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
To Be Published
8Q38
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BU of 8q38 by Molmil
Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
Descriptor: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
To Be Published
8Q2U
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BU of 8q2u by Molmil
Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308)
Descriptor: 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308)
To Be Published
8Q4P
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BU of 8q4p by Molmil
Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309)
Descriptor: 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309)
To Be Published
8Q4T
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BU of 8q4t by Molmil
Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400)
To Be Published
8Q2V
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BU of 8q2v by Molmil
Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560)
Descriptor: 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560)
To Be Published
8Q4N
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BU of 8q4n by Molmil
Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513)
Descriptor: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513)
To Be Published

221051

건을2024-06-12부터공개중

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