6FYM
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![BU of 6fym by Molmil](/molmil-images/mine/6fym) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1 | 分子名称: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | 登録日 | 2018-03-12 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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6FZM
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![BU of 6fzm by Molmil](/molmil-images/mine/6fzm) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | 分子名称: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | 登録日 | 2018-03-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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4P90
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8FA3
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8FBB
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![BU of 8fbb by Molmil](/molmil-images/mine/8fbb) | LH2-LH3 antenna in parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-11-29 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (11.3 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FB9
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![BU of 8fb9 by Molmil](/molmil-images/mine/8fb9) | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-11-29 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (6.4 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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4GRB
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![BU of 4grb by Molmil](/molmil-images/mine/4grb) | Casein kinase 2 (CK2) bound to inhibitor | 分子名称: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | 登録日 | 2012-08-24 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett, 4, 2013
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4C61
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![BU of 4c61 by Molmil](/molmil-images/mine/4c61) | Inhibitors of Jak2 Kinase domain | 分子名称: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | 著者 | Read, J.A, Green, I, Pollard, H, Howard, T. | 登録日 | 2013-09-17 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors. J.Med.Chem., 57, 2014
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6JNF
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![BU of 6jnf by Molmil](/molmil-images/mine/6jnf) | Cryo-EM structure of the translocator of the outer mitochondrial membrane | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | 著者 | Araiso, Y, Tsutsumi, A, Suzuki, J, Yunoki, K, Kawano, S, Kikkawa, M, Endo, T. | 登録日 | 2019-03-14 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | 主引用文献 | Structure of the mitochondrial import gate reveals distinct preprotein paths. Nature, 575, 2019
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4C62
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![BU of 4c62 by Molmil](/molmil-images/mine/4c62) | Inhibitors of Jak2 Kinase domain | 分子名称: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | 著者 | Read, J, Green, I, Pollard, H, Howard, T. | 登録日 | 2013-09-17 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors. J.Med.Chem., 57, 2014
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4I2Y
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7TV3
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![BU of 7tv3 by Molmil](/molmil-images/mine/7tv3) | LH2-LH3 antenna in parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-02-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (11.4 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TUW
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![BU of 7tuw by Molmil](/molmil-images/mine/7tuw) | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-02-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (8.2 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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6M1W
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![BU of 6m1w by Molmil](/molmil-images/mine/6m1w) | Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase | 分子名称: | Amidohydrolase, CHLORIDE ION, FE (III) ION, ... | 著者 | Hibi, M, Mikami, B, Ogawa, J. | 登録日 | 2020-02-26 | 公開日 | 2021-01-06 | 最終更新日 | 2021-01-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes. Commun Biol, 4, 2021
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6M2I
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![BU of 6m2i by Molmil](/molmil-images/mine/6m2i) | Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase | 分子名称: | 1,2-ETHANEDIOL, Amidohydrolase, FE (III) ION, ... | 著者 | Hibi, M, Mikami, B, Ogawa, J. | 登録日 | 2020-02-27 | 公開日 | 2021-01-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes. Commun Biol, 4, 2021
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6QMO
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4LR6
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![BU of 4lr6 by Molmil](/molmil-images/mine/4lr6) | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | 分子名称: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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8RU4
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![BU of 8ru4 by Molmil](/molmil-images/mine/8ru4) | Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Axin-1, CHLORIDE ION, ... | 著者 | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | 登録日 | 2024-01-30 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin. Angew.Chem.Int.Ed.Engl., 2024
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8RU3
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![BU of 8ru3 by Molmil](/molmil-images/mine/8ru3) | Crystal structure of beta-catenin in complex with alpha-helical peptide inhibitor | 分子名称: | Axin-1, CHLORIDE ION, Catenin beta-1 | 著者 | Yeste Vazquez, A, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | 登録日 | 2024-01-30 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene beta-Catenin. Angew.Chem.Int.Ed.Engl., 2024
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9F6C
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![BU of 9f6c by Molmil](/molmil-images/mine/9f6c) | Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the inhibitor aficamten | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | 著者 | Robert-Paganin, J, Hartman, J.J, Morgan, B.P, Malik, F.I, Houdusse, A. | 登録日 | 2024-05-01 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Aficamten is a small-molecule cardiac myosin inhibitor designed to treat hypertrophic cardiomyopathy Nat Cardiovasc Res, 3, 2024
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4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | 分子名称: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | 登録日 | 2014-07-26 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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3U0N
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3U0K
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5H8E
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![BU of 5h8e by Molmil](/molmil-images/mine/5h8e) | Crystal structure of CK2 with compound 7h | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Ferguson, A.D. | 登録日 | 2015-12-23 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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