1Z3K
 
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2I85
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4Z93
 | | BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18. | | 分子名称: | 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4 | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2015-04-09 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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3U0B
 | | Crystal structure of an oxidoreductase from Mycobacterium smegmatis | | 分子名称: | Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION | | 著者 | Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2011-09-28 | | 公開日 | 2011-10-05 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis.
Acta Crystallogr.,Sect.F, 80, 2024
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5VP5
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8GEX
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4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | 分子名称: | MM-402, WD repeat-containing protein 5 | | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | 登録日 | 2012-08-15 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.781 Å) | | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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6C7R
 | | BRD4 BD1 in complex with compound CF53 | | 分子名称: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-01-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
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6C7Q
 | | BRD4 BD2 in complex with compound CE277 | | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-01-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
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2FRY
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2FRW
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | 分子名称: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | 著者 | Stuckey, J.A. | | 登録日 | 2017-04-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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5UOO
 | | BRD4 bromodomain 2 in complex with CD161 | | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2017-02-01 | | 公開日 | 2017-05-17 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
J. Med. Chem., 60, 2017
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8OOJ
 | | Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP | | 分子名称: | 4-azanyl-1-[(2~{R},4~{S},5~{R})-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | 著者 | Saez-Ayala, M, Rebuffet, E, Betzi, S, Morelli, X. | | 登録日 | 2023-04-05 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 4'-Ethynyl-2'-Deoxycytidine (EdC) Preferentially Targets Lymphoma and Leukemia Subtypes by Inducing Replicative Stress.
Mol.Cancer Ther., 23, 2024
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