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PDB: 163 results

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
6RT5
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BU of 6rt5 by Molmil
The YTH domain of YTHDC1 protein in complex with Gm6AC oligonucleotide
Descriptor: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R, Sledz, P, Caflisch, A.
Deposit date:2019-05-22
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT6
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BU of 6rt6 by Molmil
The YTH domain of YTHDC1 protein in complex with GGm6AC oligonucleotide
Descriptor: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R, Sledz, P, Caflisch, A.
Deposit date:2019-05-22
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT4
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BU of 6rt4 by Molmil
The YTH domain of YTHDC1 protein in complex with m6ACU oligonucleotide
Descriptor: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R, Sledz, P, Caflisch, A.
Deposit date:2019-05-22
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
6RT7
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BU of 6rt7 by Molmil
The YTH domain of YTHDC1 protein in complex with Gm6ACU oligonucleotide
Descriptor: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R, Sledz, P, Caflisch, A.
Deposit date:2019-05-22
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
8BS4
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BU of 8bs4 by Molmil
Crystal structure of YTHDF1 YTH domain dimer
Descriptor: ACETATE ION, GLYCEROL, YTH domain-containing family protein 1
Authors:Bedi, R.K, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of YTHDF1 YTH domain dimer
To Be Published
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
8BS5
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BU of 8bs5 by Molmil
Crystal structure of YTHDF3 YTH domain open conformation
Descriptor: DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, YTH domain-containing family protein 3
Authors:Bedi, R.K, Caflisch, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of YTHDF3 YTH domain open conformation
To Be Published
7ACD
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BU of 7acd by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
Descriptor: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2020-09-10
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
8PW8
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BU of 8pw8 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PWA
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BU of 8pwa by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW9
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BU of 8pw9 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1)
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
7NIA
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BU of 7nia by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ059a
Descriptor: 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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHI
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BU of 7nhi by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ004
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
8PWB
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BU of 8pwb by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
7NHG
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BU of 7nhg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041
Descriptor: 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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
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
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

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PDB entries from 2024-08-07

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