6PGK
| Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | 著者 | Fromme, R, Gisriel, C, Fromme, P. | 登録日 | 2019-06-24 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Membrane protein megahertz crystallography at the European XFEL. Nat Commun, 10, 2019
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7XUB
| Structure of G9a in complex with compound 10d | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUC
| Structure of G9a in complex with compound 11a | 分子名称: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUD
| Structure of G9a in complex with compound 26a | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUA
| Structure of G9a in complex with compound 10a | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7VQT
| Crystal structure of LSD1 in complex with compound 5 | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | 登録日 | 2021-10-20 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQS
| Crystal structure of LSD1 in complex with compound 4 | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | 登録日 | 2021-10-20 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VQU
| Crystal structure of LSD1 in complex with compound S1427 | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | 登録日 | 2021-10-20 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. Acs Med.Chem.Lett., 13, 2022
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7VU6
| The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Yamamoto, S, Yamane, J, Tachibana, Y. | 登録日 | 2021-11-01 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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7VTH
| The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | 分子名称: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | 著者 | Yamamoto, S, Tachibana, Y. | 登録日 | 2021-10-29 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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5HN4
| Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and homoisocitrate | 分子名称: | (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid, Homoisocitrate dehydrogenase, IMIDAZOLE, ... | 著者 | Shimizu, T, Tomita, T, Nishiyama, M. | 登録日 | 2016-01-18 | 公開日 | 2016-12-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis Biochem. J., 474, 2017
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5HN6
| Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and 3-isopropylmalate | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-ISOPROPYLMALIC ACID, Homoisocitrate dehydrogenase, ... | 著者 | Shimizu, T, Tomita, T, Nishiyama, M. | 登録日 | 2016-01-18 | 公開日 | 2016-12-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis Biochem. J., 474, 2017
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5HN5
| Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and isocitrate | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Homoisocitrate dehydrogenase, ISOCITRIC ACID, ... | 著者 | Shimizu, T, Tomita, T, Nishiyama, M. | 登録日 | 2016-01-18 | 公開日 | 2016-12-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis Biochem. J., 474, 2017
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5HN3
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6GF6
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6GF7
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6GF8
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7QX7
| mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | Pesticidal crystal protein Cry11Aa | 著者 | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | 登録日 | 2022-01-26 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX6
| mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | Pesticidal crystal protein Cry11Aa | 著者 | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | 登録日 | 2022-01-26 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QYD
| mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | Pesticidal crystal protein Cry11Ba | 著者 | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | 登録日 | 2022-01-28 | 公開日 | 2022-07-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7R1E
| Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | GLYCEROL, Pesticidal crystal protein Cry11Ba | 著者 | Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | 登録日 | 2022-02-02 | 公開日 | 2022-07-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX5
| mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | Pesticidal crystal protein Cry11Aa | 著者 | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | 登録日 | 2022-01-26 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7QX4
| mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography | 分子名称: | Pesticidal crystal protein Cry11Aa | 著者 | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P. | 登録日 | 2022-01-26 | 公開日 | 2022-07-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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7K8E
| Beta-lactamase mixed with Ceftriaxone, 5ms | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | 著者 | Pandey, S, Schmidt, M. | 登録日 | 2020-09-26 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.40005636 Å) | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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7K8H
| Beta-lactamase mixed with Ceftriaxone, 50ms | 分子名称: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | 著者 | Pandey, S, Schmidt, M. | 登録日 | 2020-09-27 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.60006261 Å) | 主引用文献 | Observation of substrate diffusion and ligand binding in enzyme crystals using high-repetition-rate mix-and-inject serial crystallography Iucrj, 8, 2021
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