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6YNP
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BU of 6ynp by Molmil
Crystal structure of YTHDC1 with compound T96C1
Descriptor: CHLORIDE ION, SULFATE ION, YTHDC1, ...
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6T02
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BU of 6t02 by Molmil
Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169)
Descriptor: (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZX
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BU of 6szx by Molmil
Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128)
Descriptor: 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6WE8
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BU of 6we8 by Molmil
YTH domain of human YTHDC1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
7P8B
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BU of 7p8b by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_006
Descriptor: 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
Deposit date:2021-07-21
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJQ
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BU of 7pjq by Molmil
Crystal structure of YTHDC1 with compound T96
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-08-24
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 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
6YKZ
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BU of 6ykz by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_234
Descriptor: SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNN
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BU of 6ynn by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_135
Descriptor: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
8BS6
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BU of 8bs6 by Molmil
Crystal structure of YTHDF3 disulfide mutant (closed conformation)
Descriptor: YTH domain-containing family protein 3
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of YTHDF3 disulfide mutant (closed conformation)
To Be Published
7NG2
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BU of 7ng2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain in apo form
Descriptor: ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-08
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
6ZCM
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BU of 6zcm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_180
Descriptor: 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6SZ3
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BU of 6sz3 by Molmil
Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
8Q37
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BU of 8q37 by Molmil
Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312)
Descriptor: 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 18 (ZA_312)
To Be Published
7P87
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BU of 7p87 by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_001
Descriptor: N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A.
Deposit date:2021-07-21
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKI
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BU of 6yki by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_092
Descriptor: SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
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 (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNK
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BU of 6ynk by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_068
Descriptor: 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-13
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YOQ
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BU of 6yoq by Molmil
Crystal structure of YTHDC1 with compound VVR_DC1_002
Descriptor: 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide, SULFATE ION, YTHDC1
Authors:von Roten, V, Bedi, R.K, Caflisch, A.
Deposit date:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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
8Q35
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BU of 8q35 by Molmil
Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354)
Descriptor: 9-[[2-[bis(fluoranyl)methyl]phenyl]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 (1.31 Å)
Cite:Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354)
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
7NH2
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BU of 7nh2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A
Descriptor: TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine
Authors:Swale, C, Bowler, M.W.
Deposit date:2021-02-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
6YNI
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BU of 6yni by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_036
Descriptor: (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
Deposit date:2020-04-13
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6T0X
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BU of 6t0x by Molmil
Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001)
Descriptor: (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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

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PDB entries from 2024-04-17

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