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1CTM
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BU of 1ctm by Molmil
CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION
Descriptor: CYTOCHROME F, HEME C
Authors:Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
Deposit date:1994-01-02
Release date:1994-05-31
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of chloroplast cytochrome f reveals a novel cytochrome fold and unexpected heme ligation.
Structure, 2, 1994
1HCZ
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BU of 1hcz by Molmil
LUMEN-SIDE DOMAIN OF REDUCED CYTOCHROME F AT-35 DEGREES CELSIUS
Descriptor: CYTOCHROME F, PROTOPORPHYRIN IX CONTAINING FE
Authors:Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The heme redox center of chloroplast cytochrome f is linked to a buried five-water chain.
Protein Sci., 5, 1996
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
4AGH
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BU of 4agh by Molmil
Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae
Descriptor: MOSUB1, TRANSCRIPTION COFACTOR
Authors:Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y.
Deposit date:2012-01-27
Release date:2012-08-29
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae.
Acta Crystallogr.,Sect.D, 68, 2012
4BHM
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BU of 4bhm by Molmil
The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION
Authors:Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y.
Deposit date:2013-04-04
Release date:2014-04-23
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
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
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
6YL9
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BU of 6yl9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_085
Descriptor: 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, 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 (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKE
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BU of 6yke by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_038
Descriptor: (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, 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 (1.52 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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
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
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
6YNJ
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BU of 6ynj by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_046
Descriptor: (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-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 (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNM
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BU of 6ynm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_096
Descriptor: 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, 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 (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YKJ
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BU of 6ykj by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_125
Descriptor: SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-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 (1.6 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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
6YNL
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BU of 6ynl by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_078
Descriptor: 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, 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 (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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
6YL8
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BU of 6yl8 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_011
Descriptor: (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, 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 (1.5 Å)
Cite:Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6YNO
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BU of 6yno by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_139
Descriptor: 6-[[methyl-[(1-phenylpyrazol-3-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:2020-04-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 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
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
7OEK
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BU of 7oek by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ091
Descriptor: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-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:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEM
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BU of 7oem by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ120
Descriptor: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{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:2021-05-03
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
7OED
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BU of 7oed by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a
Descriptor: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-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 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OQP
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BU of 7oqp by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ113
Descriptor: ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023

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