4WWN
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![BU of 4wwn by Molmil](/molmil-images/mine/4wwn) | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | 分子名称: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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4WWO
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![BU of 4wwo by Molmil](/molmil-images/mine/4wwo) | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | 分子名称: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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7PUU
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![BU of 7puu by Molmil](/molmil-images/mine/7puu) | Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7Q0D
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![BU of 7q0d by Molmil](/molmil-images/mine/7q0d) | Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-10-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7PUW
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![BU of 7puw by Molmil](/molmil-images/mine/7puw) | Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7Q0E
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![BU of 7q0e by Molmil](/molmil-images/mine/7q0e) | Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-10-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7PUV
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![BU of 7puv by Molmil](/molmil-images/mine/7puv) | Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-09-30 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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7Q0C
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![BU of 7q0c by Molmil](/molmil-images/mine/7q0c) | Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate | 分子名称: | ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-10-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
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4PW2
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![BU of 4pw2 by Molmil](/molmil-images/mine/4pw2) | Crystal structure of D-glucuronyl C5 epimerase | 分子名称: | CITRIC ACID, D-glucuronyl C5 epimerase B | 著者 | Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K. | 登録日 | 2014-03-18 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Functional Study of d-Glucuronyl C5-epimerase. J.Biol.Chem., 290, 2015
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6K2U
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![BU of 6k2u by Molmil](/molmil-images/mine/6k2u) | Crystal structure of Thr66 ADP-ribosylated ubiquitin | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ... | 著者 | Wang, X, Zhou, Y, Zhu, Y. | 登録日 | 2019-05-15 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | 主引用文献 | Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination. Mol.Cell, 78, 2020
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1CER
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![BU of 1cer by Molmil](/molmil-images/mine/1cer) | |
7P3J
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![BU of 7p3j by Molmil](/molmil-images/mine/7p3j) | EED in complex with compound 4 | 分子名称: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Read, J.A. | 登録日 | 2021-07-07 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3C
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![BU of 7p3c by Molmil](/molmil-images/mine/7p3c) | EED in complex with compound 4 | 分子名称: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | 著者 | Read, J.A. | 登録日 | 2021-07-07 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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7P3G
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![BU of 7p3g by Molmil](/molmil-images/mine/7p3g) | EED in complex with compound 4 | 分子名称: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | 著者 | Read, J.A. | 登録日 | 2021-07-07 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J.Med.Chem., 64, 2021
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8GOU
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![BU of 8gou by Molmil](/molmil-images/mine/8gou) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-25 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | 分子名称: | Spike protein S1, scFv | 著者 | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | 登録日 | 2022-08-27 | 公開日 | 2023-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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5EW3
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![BU of 5ew3 by Molmil](/molmil-images/mine/5ew3) | |
6WMW
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![BU of 6wmw by Molmil](/molmil-images/mine/6wmw) | GFRAL receptor bound with two antibody Fabs (3P10, 25M22) | 分子名称: | FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ... | 著者 | White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K. | 登録日 | 2020-04-21 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice. Nat Med, 26, 2020
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5H2M
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![BU of 5h2m by Molmil](/molmil-images/mine/5h2m) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 13.8 us after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H2J
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![BU of 5h2j by Molmil](/molmil-images/mine/5h2j) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 290 ns after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H2P
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![BU of 5h2p by Molmil](/molmil-images/mine/5h2p) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H2H
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![BU of 5h2h by Molmil](/molmil-images/mine/5h2h) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H2K
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![BU of 5h2k by Molmil](/molmil-images/mine/5h2k) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H2I
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![BU of 5h2i by Molmil](/molmil-images/mine/5h2i) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | 登録日 | 2016-10-15 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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1ER8
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![BU of 1er8 by Molmil](/molmil-images/mine/1er8) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | 分子名称: | Endothiapepsin, H-77 | 著者 | Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L. | 登録日 | 1989-10-16 | 公開日 | 1991-10-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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