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PDB: 157 件
8Q32
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BU of 8q32 by Molmil
Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
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 (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2T
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BU of 8q2t by Molmil
Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
分子名称: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)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 (1.41 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
6ZD9
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BU of 6zd9 by Molmil
Crystal structure of YTHDC1 apo purified using GST tag
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1
著者Bedi, R.K, Caflisch, A.
登録日2020-06-14
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 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
8Q31
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BU of 8q31 by Molmil
Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341)
分子名称: 9-[(2-aminophenyl)methyl]-2-chloranyl-~{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 (1.32 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2X
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BU of 8q2x by Molmil
Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294)
分子名称: 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid, 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 (1.6 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2V
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BU of 8q2v by Molmil
Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560)
分子名称: 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]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 (1.71 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2R
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BU of 8q2r by Molmil
Crystal structure of YTHDC1 in complex with Compound 3 (ZA_431)
分子名称: 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Li, Y, 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 (1.6 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2S
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BU of 8q2s by Molmil
Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232)
分子名称: 2-chloranyl-~{N}-methyl-9-phenyl-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 (1.41 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2Y
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BU of 8q2y by Molmil
Crystal structure of YTHDC1 in complex with Compound 11 (ZA_572)
分子名称: 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide, 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 (1.71 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2U
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BU of 8q2u by Molmil
Crystal structure of YTHDC1 in complex with Compound 6 (ZA_308)
分子名称: 2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)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 (1.36 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
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
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
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
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
分子名称: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{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 (1.37 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4R
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BU of 8q4r by Molmil
Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
分子名称: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
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
8Q38
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BU of 8q38 by Molmil
Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
分子名称: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
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 (1.42 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4Q
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BU of 8q4q by Molmil
Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
分子名称: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, 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 (1.4 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q33
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BU of 8q33 by Molmil
Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
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 (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4V
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BU of 8q4v by Molmil
Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
分子名称: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-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 (1.36 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q3A
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BU of 8q3a by Molmil
Crystal structure of YTHDC1 in complex with Compound 22 (ZA_393)
分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide, 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 (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4N
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BU of 8q4n by Molmil
Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513)
分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, 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 (1.42 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q39
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BU of 8q39 by Molmil
Crystal structure of YTHDC1 in complex with Compound 21 (ZA_515)
分子名称: 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]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 (1.42 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4P
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BU of 8q4p by Molmil
Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309)
分子名称: 2-chloranyl-9-[(3-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2023-08-07
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
8Q35
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BU of 8q35 by Molmil
Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354)
分子名称: 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{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 (1.31 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4T
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BU of 8q4t by Molmil
Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
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 (1.51 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024

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件を2024-10-30に公開中

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