7JPY
 
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7JQ4
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7JQ0
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7JQ1
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5VPM
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6NIR
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5VRP
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5V8V
 | | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate | | 著者 | Concha, N, Zhao, B. | | 登録日 | 2017-03-22 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
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6UJH
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4JGV
 | | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | | 分子名称: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | | 登録日 | 2013-03-04 | | 公開日 | 2013-12-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
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6UHY
 | | WDR5 in complex with Myc site fragment inhibitor | | 分子名称: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 | | 著者 | Wang, F, Fesik, S.W. | | 登録日 | 2019-09-29 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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6UHZ
 | | WDR5 in complex with Myc site fragment inhibitor | | 分子名称: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 | | 著者 | Wang, F, Fesik, S.w. | | 登録日 | 2019-09-29 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.258 Å) | | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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6UJL
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6UJJ
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8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | 分子名称: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | 著者 | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | 登録日 | 2023-07-10 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
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1HBV
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8FXV
 | | Crystal structure of human proTGF-beta2 in complex with Nb18 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 18, Transforming growth factor beta-2 proprotein | | 著者 | Le, V.Q, Springer, T.A. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FXS
 | | Crystal structure of human pro-TGF-beta2 in complex with Nb9 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 9, Transforming growth factor beta-2 proprotein | | 著者 | Le, V.Q, Springer, T.A. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-21 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5FFG
 | | Crystal structure of integrin alpha V beta 6 head | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dong, X, Springer, T.A. | | 登録日 | 2015-12-18 | | 公開日 | 2017-01-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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5H7P
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5H7V
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3N75
 | | X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI | | 分子名称: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ... | | 著者 | Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A. | | 登録日 | 2010-05-26 | | 公開日 | 2011-02-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
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3NBX
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8V8J
 | | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8H
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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