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PDB: 63 results

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
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
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
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
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
7O2H
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BU of 7o2h by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-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:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091)
To Be Published
7O0P
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BU of 7o0p by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]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:2021-03-26
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
To Be Published
7OEE
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BU of 7oee by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b
Descriptor: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7O29
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BU of 7o29 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-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 (2.75 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7OEG
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BU of 7oeg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b
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:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 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
7O2I
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BU of 7o2i by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457
Descriptor: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
Authors:Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2021-03-30
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
7OQO
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BU of 7oqo by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ111
Descriptor: 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, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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