6PDA
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![BU of 6pda by Molmil](/molmil-images/mine/6pda) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDE
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![BU of 6pde by Molmil](/molmil-images/mine/6pde) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6CT2
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![BU of 6ct2 by Molmil](/molmil-images/mine/6ct2) | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | Descriptor: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | Authors: | Ren, B, Peat, T.S. | Deposit date: | 2018-03-22 | Release date: | 2018-08-01 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6GJG
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![BU of 6gjg by Molmil](/molmil-images/mine/6gjg) | Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | Descriptor: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Rowland, P. | Deposit date: | 2018-05-16 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity. ACS Omega, 3, 2018
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5TBO
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![BU of 5tbo by Molmil](/molmil-images/mine/5tbo) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M. | Deposit date: | 2016-09-12 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis, 2, 2016
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4ZX5
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![BU of 4zx5 by Molmil](/molmil-images/mine/4zx5) | |
4ZW5
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![BU of 4zw5 by Molmil](/molmil-images/mine/4zw5) | |
4ZW6
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![BU of 4zw6 by Molmil](/molmil-images/mine/4zw6) | |
4ZX6
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![BU of 4zx6 by Molmil](/molmil-images/mine/4zx6) | |
4ZY2
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![BU of 4zy2 by Molmil](/molmil-images/mine/4zy2) | X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o | Descriptor: | CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ... | Authors: | Drinkwater, N, McGowan, S. | Deposit date: | 2015-05-21 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
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4ZW8
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![BU of 4zw8 by Molmil](/molmil-images/mine/4zw8) | |
4ZY0
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![BU of 4zy0 by Molmil](/molmil-images/mine/4zy0) | |
4ZX9
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![BU of 4zx9 by Molmil](/molmil-images/mine/4zx9) | |
4ZX8
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![BU of 4zx8 by Molmil](/molmil-images/mine/4zx8) | |
4ZW7
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![BU of 4zw7 by Molmil](/molmil-images/mine/4zw7) | |
4ZYQ
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![BU of 4zyq by Molmil](/molmil-images/mine/4zyq) | |
4ZW3
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![BU of 4zw3 by Molmil](/molmil-images/mine/4zw3) | |
4ZX4
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![BU of 4zx4 by Molmil](/molmil-images/mine/4zx4) | |
5BOO
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![BU of 5boo by Molmil](/molmil-images/mine/5boo) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Phillips, M, Deng, X, Tomchick, D. | Deposit date: | 2015-05-27 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med, 7, 2015
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4ZX3
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![BU of 4zx3 by Molmil](/molmil-images/mine/4zx3) | |
4ZY1
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![BU of 4zy1 by Molmil](/molmil-images/mine/4zy1) | |
6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-12 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6BA2
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![BU of 6ba2 by Molmil](/molmil-images/mine/6ba2) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | Descriptor: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-11 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.85003817 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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