7EIC
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7EID
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7EIE
| Crystal structure of YEATS2 YEATS domain | Descriptor: | GLYCEROL, YEATS domain-containing protein 2 | Authors: | Kikuchi, M, Umehara, T. | Deposit date: | 2021-03-30 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles. J.Biol.Chem., 298, 2022
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7CSS
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7D37
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1KA9
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1Y37
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7Y1G
| Crystal structure of human PRKACA complexed with DS01080522 | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | Deposit date: | 2022-06-08 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model. Biochem.Biophys.Res.Commun., 621, 2022
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6IYQ
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5X9O
| Crystal structure of the BCL6 BTB domain in complex with Compound 1a | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-03-08 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design Bioorg. Med. Chem., 25, 2017
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5WJJ
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-07-23 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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5X9P
| Crystal structure of the BCL6 BTB domain in complex with Compound 5 | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-03-08 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design Bioorg. Med. Chem., 25, 2017
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5Y6Q
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2YXO
| Histidinol Phosphate Phosphatase complexed with Sulfate | Descriptor: | FE (III) ION, GLYCEROL, Histidinol phosphatase, ... | Authors: | Omi, R. | Deposit date: | 2007-04-26 | Release date: | 2007-11-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8. Biochemistry, 46, 2007
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2YZ5
| Histidinol Phosphate Phosphatase complexed with Phosphate | Descriptor: | FE (III) ION, GLYCEROL, Histidinol phosphatase, ... | Authors: | Omi, R. | Deposit date: | 2007-05-03 | Release date: | 2007-11-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8. Biochemistry, 46, 2007
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5Y9L
| Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | Descriptor: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-08-25 | Release date: | 2017-11-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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1V7C
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1VE4
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5YJK
| Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | Descriptor: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | Authors: | Sugawara, H. | Deposit date: | 2017-10-11 | Release date: | 2017-12-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors Bioorg. Med. Chem. Lett., 27, 2017
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1VB3
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2Z4G
| Histidinol Phosphate Phosphatase from Thermus thermophilus HB8 | Descriptor: | FE (III) ION, GLYCEROL, Histidinol phosphatase, ... | Authors: | Omi, R. | Deposit date: | 2007-06-17 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8. Biochemistry, 46, 2007
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3A9Z
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3A9Y
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3A9X
| Crystal structure of rat selenocysteine lyase | Descriptor: | PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Selenocysteine lyase | Authors: | Omi, R, Hirotsu, K. | Deposit date: | 2009-11-08 | Release date: | 2010-03-16 | Last modified: | 2013-10-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase. J.Biol.Chem., 285, 2010
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6OHD
| P38 in complex with T-3220137 | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2019-04-05 | Release date: | 2019-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
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