5EBZ
| Crystal structure of human IKK1 | Descriptor: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ... | Authors: | Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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7OQP
| 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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7OQO
| 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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7OQL
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ094 | Descriptor: | (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-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: | 2021-06-03 | 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
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7PJB
| Crystal structure of YTHDC1 with compound PSI_DC1_004 | Descriptor: | (R)-homoproline, GLYCEROL, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-08-23 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJ8
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7PJP
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7PJ9
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7PJQ
| 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
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7PJA
| Crystal structure of YTHDC1 with compound PSI_DC1_002 | Descriptor: | 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-08-23 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJ7
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7ACD
| 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
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4BHM
| 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: | 2024-05-08 | 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
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4AGH
| 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: | 2024-05-08 | 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
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1HCZ
| 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: | 2024-06-05 | 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
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1CTM
| 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
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5TQX
| CryoEM reconstruction of human IKK1, intermediate conformation 2 | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | Authors: | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | Deposit date: | 2016-10-24 | Release date: | 2016-11-09 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5TQW
| CryoEM reconstruction of human IKK1, open conformation 1 | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | Authors: | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | Deposit date: | 2016-10-24 | Release date: | 2016-11-09 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5TQY
| CryoEM reconstruction of human IKK1, closed conformation 3 | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | Authors: | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | Deposit date: | 2016-10-24 | Release date: | 2016-11-09 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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6YKE
| 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
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6YL0
| 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
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6YL9
| 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
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6YKZ
| 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
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6YNJ
| 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
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6YNM
| 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
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