4I3K
 
 | | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | | Deposit date: | 2012-11-26 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3056 Å) | | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
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4I3L
 | | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | | Descriptor: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | | Deposit date: | 2012-11-26 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.292 Å) | | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
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7L99
 | | Crystal structure of BRDT bromodomain 2 in complex with CDD-1302 | | Descriptor: | Bromodomain testis-specific protein, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | | Authors: | Sharma, R, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M. | | Deposit date: | 2021-01-03 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7L9A
 | | Crystal structure of BRDT bromodomain 2 in complex with CDD-1102 | | Descriptor: | BETA-MERCAPTOETHANOL, Bromodomain testis-specific protein, N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide | | Authors: | Sharma, R, Kaur, G, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M. | | Deposit date: | 2021-01-03 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3SR4
 | | Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | | Descriptor: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | | Deposit date: | 2011-07-06 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies.
J.Am.Chem.Soc., 133, 2011
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7UBO
 | | Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956 | | Descriptor: | Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | | Authors: | Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C. | | Deposit date: | 2022-03-15 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
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