7M23
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![BU of 7m23 by Molmil](/molmil-images/mine/7m23) | Human carbonic anhydrase II in complex with troglitazone | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION | Authors: | Mueller, S.L, Peat, T.S. | Deposit date: | 2021-03-16 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
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7M24
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![BU of 7m24 by Molmil](/molmil-images/mine/7m24) | |
6PGE
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![BU of 6pge by Molmil](/molmil-images/mine/6pge) | |
6PGC
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![BU of 6pgc by Molmil](/molmil-images/mine/6pgc) | |
6PG7
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![BU of 6pg7 by Molmil](/molmil-images/mine/6pg7) | |
6PGD
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![BU of 6pgd by Molmil](/molmil-images/mine/6pgd) | WDR5delta32 bound to peptidomimetic | Descriptor: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5 | Authors: | Dennis, M.L, Peat, T.S. | Deposit date: | 2019-06-24 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
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6PG6
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![BU of 6pg6 by Molmil](/molmil-images/mine/6pg6) | |
6PGF
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![BU of 6pgf by Molmil](/molmil-images/mine/6pgf) | |
6PG3
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![BU of 6pg3 by Molmil](/molmil-images/mine/6pg3) | |
6PG5
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![BU of 6pg5 by Molmil](/molmil-images/mine/6pg5) | |
6PGB
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![BU of 6pgb by Molmil](/molmil-images/mine/6pgb) | |
6PG4
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![BU of 6pg4 by Molmil](/molmil-images/mine/6pg4) | |
6PG8
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![BU of 6pg8 by Molmil](/molmil-images/mine/6pg8) | |
6PG9
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![BU of 6pg9 by Molmil](/molmil-images/mine/6pg9) | |
6PGA
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![BU of 6pga by Molmil](/molmil-images/mine/6pga) | |
4AD6
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![BU of 4ad6 by Molmil](/molmil-images/mine/4ad6) | |
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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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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7SWR
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![BU of 7swr by Molmil](/molmil-images/mine/7swr) | Crystal structure of the chromoprotein gfasPurple | Descriptor: | CHLORIDE ION, Chromoprotein gfasPurple | Authors: | Caputo, A.T, Newman, J, Peat, T.S, Scott, C, Ahmed, H. | Deposit date: | 2021-11-21 | Release date: | 2022-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.388 Å) | Cite: | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed. Acta Crystallogr D Struct Biol, 78, 2022
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4ADE
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![BU of 4ade by Molmil](/molmil-images/mine/4ade) | |
4AH9
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![BU of 4ah9 by Molmil](/molmil-images/mine/4ah9) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE, CHLORIDE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-06 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHR
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![BU of 4ahr by Molmil](/molmil-images/mine/4ahr) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHV
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![BU of 4ahv by Molmil](/molmil-images/mine/4ahv) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4ADB
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![BU of 4adb by Molmil](/molmil-images/mine/4adb) | |