5GR0
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![BU of 5gr0 by Molmil](/molmil-images/mine/5gr0) | |
5GR6
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![BU of 5gr6 by Molmil](/molmil-images/mine/5gr6) | |
5GR3
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![BU of 5gr3 by Molmil](/molmil-images/mine/5gr3) | |
5GR4
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![BU of 5gr4 by Molmil](/molmil-images/mine/5gr4) | |
5GQY
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5GR1
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![BU of 5gr1 by Molmil](/molmil-images/mine/5gr1) | |
5GR2
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![BU of 5gr2 by Molmil](/molmil-images/mine/5gr2) | |
5GR5
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![BU of 5gr5 by Molmil](/molmil-images/mine/5gr5) | |
5GQZ
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | Crystal structure of PI3K-alpha in complex with compound 30 | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | Crystal structure of PI3K-alpha in complex with compound 32 | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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6CHG
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![BU of 6chg by Molmil](/molmil-images/mine/6chg) | Crystal structure of the yeast COMPASS catalytic module | 分子名称: | H3, Histone-lysine N-methyltransferase, H3 lysine-4 specific, ... | 著者 | Hsu, P.L, Li, H, Zheng, N. | 登録日 | 2018-02-22 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.985 Å) | 主引用文献 | Crystal Structure of the COMPASS H3K4 Methyltransferase Catalytic Module. Cell, 174, 2018
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4RVK
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![BU of 4rvk by Molmil](/molmil-images/mine/4rvk) | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | 分子名称: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-11-26 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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4RVL
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![BU of 4rvl by Molmil](/molmil-images/mine/4rvl) | CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | 分子名称: | 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-11-26 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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6UH5
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![BU of 6uh5 by Molmil](/molmil-images/mine/6uh5) | Structural basis of COMPASS eCM recognition of the H2Bub nucleosome | 分子名称: | Bre2, DNA (146-MER), H3 N-terminus, ... | 著者 | Hsu, P.L, Shi, H, Zheng, N. | 登録日 | 2019-09-26 | 公開日 | 2019-11-20 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS. Mol.Cell, 76, 2019
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6UGM
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![BU of 6ugm by Molmil](/molmil-images/mine/6ugm) | Structural basis of COMPASS eCM recognition of an unmodified nucleosome | 分子名称: | Bre2, DNA (146-MER), H3 N-terminus, ... | 著者 | Hsu, P.L, Shi, H, Zheng, N. | 登録日 | 2019-09-26 | 公開日 | 2019-11-20 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS. Mol.Cell, 76, 2019
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2HF7
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![BU of 2hf7 by Molmil](/molmil-images/mine/2hf7) | Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | 分子名称: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | 登録日 | 2006-06-23 | 公開日 | 2008-03-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 |
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2HEG
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![BU of 2heg by Molmil](/molmil-images/mine/2heg) | Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase | 分子名称: | Class B acid phosphatase, MAGNESIUM ION | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | 登録日 | 2006-06-21 | 公開日 | 2008-03-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 |
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5WEV
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2G1A
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![BU of 2g1a by Molmil](/molmil-images/mine/2g1a) | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase | 分子名称: | Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | 登録日 | 2006-02-14 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase To be published
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6KLF
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3CZ4
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![BU of 3cz4 by Molmil](/molmil-images/mine/3cz4) | Native AphA class B acid phosphatase/phosphotransferase from E. coli | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Leone, R, Cappelletti, E, Benvenuti, M, Lentini, G, Thaller, M.C, Mangani, S. | 登録日 | 2008-04-28 | 公開日 | 2008-11-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases. J.Mol.Biol., 384, 2008
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