6M9L
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | 分子名称: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Okada, K. | 登録日 | 2018-08-23 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6M95
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | 分子名称: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Okada, K. | 登録日 | 2018-08-22 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6ZWI
| Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide) | 分子名称: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Da Silva, O, Nachon, F, Dias, J, Brazzolotto, X. | 登録日 | 2020-07-28 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases. Antioxidants (Basel), 10, 2021
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6ZWE
| Crystal structure of human acetylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide) | 分子名称: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Da Silva, O, Dias, J, Nachon, F, Brazzolotto, X. | 登録日 | 2020-07-28 | 公開日 | 2021-06-09 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases. Antioxidants (Basel), 10, 2021
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8CPE
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1WQV
| Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine | 分子名称: | CALCIUM ION, Coagulation factor VII, N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE, ... | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | 登録日 | 2004-10-02 | 公開日 | 2005-10-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of human factor VIIa/tissue factor in complex with peptide mimetic inhibitor Biochem.Biophys.Res.Commun., 324, 2004
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6M30
| Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase N73F | 分子名称: | MANGANESE (II) ION, Superoxide dismutase | 著者 | Retnoningrum, D.S, Yoshida, H, Razani, M.D, Meidianto, V.F, Hartanto, A, Artarini, A, Ismaya, W.T. | 登録日 | 2020-03-02 | 公開日 | 2021-02-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Unprecedented Role of The N73-F124 Pair in The Staphylococcus equorum MnSOD Activity. Curr Enzym Inhib, 2021
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2JSP
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2M3Z
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4Y1H
| Crystal structure of K33 linked tri-Ubiquitin | 分子名称: | 1,2-ETHANEDIOL, Ubiquitin-40S ribosomal protein S27a | 著者 | Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y. | 登録日 | 2015-02-07 | 公開日 | 2015-03-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations. Biochem.J., 467, 2015
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4XYZ
| Crystal structure of K33 linked di-Ubiquitin | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ... | 著者 | Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y. | 登録日 | 2015-02-03 | 公開日 | 2015-03-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations. Biochem.J., 467, 2015
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5WJJ
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | 分子名称: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | 著者 | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | 登録日 | 2017-07-23 | 公開日 | 2018-01-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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7PNL
| Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine | 分子名称: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION | 著者 | Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A. | 登録日 | 2021-09-07 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition. J Enzyme Inhib Med Chem, 39, 2024
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4E91
| Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3 | 分子名称: | (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ... | 著者 | Lemke, C.T. | 登録日 | 2012-03-20 | 公開日 | 2012-04-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein. J.Virol., 86, 2012
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4E92
| Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4 | 分子名称: | 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein | 著者 | Lemke, C.T. | 登録日 | 2012-03-20 | 公開日 | 2012-04-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein. J.Virol., 86, 2012
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8P89
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8P88
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2D5K
| Crystal structure of Dps from Staphylococcus aureus | 分子名称: | Dps family protein, GLYCEROL | 著者 | Tanaka, Y, Yao, M, Watanabe, N, Tanaka, I. | 登録日 | 2005-11-02 | 公開日 | 2006-10-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Nucleoid compaction by MrgA(Asp56Ala/Glu60Ala) does not contribute to staphylococcal cell survival against oxidative stress and phagocytic killing by macrophages FEMS Microbiol. Lett., 360, 2014
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6ANL
| Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | 分子名称: | Mitogen-activated protein kinase 14, TAK-715 | 著者 | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | 登録日 | 2017-08-14 | 公開日 | 2018-01-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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4TL7
| Crystal structure of N-terminal C1 domain of KaiC | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ... | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | 登録日 | 2014-05-29 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.936 Å) | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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4TLC
| Crystal structure of N-terminal C1 domain of KaiC | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | 登録日 | 2014-05-29 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Atomic-scale origins of slowness in the cyanobacterial circadian clock Science, 349, 2015
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4TLA
| Crystal structure of N-terminal C1 domain of KaiC | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ... | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | 登録日 | 2014-05-29 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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4TLB
| Crystal structure of N-terminal C1 domain of KaiC | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | 登録日 | 2014-05-29 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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6J6Y
| FGFR4 D2 - Fab complex | 分子名称: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2019-01-16 | 公開日 | 2019-08-07 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity. Mol.Cancer Ther., 18, 2019
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4TL9
| Crystal structure of N-terminal C1 domain of KaiC | 分子名称: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | 著者 | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | 登録日 | 2014-05-29 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.822 Å) | 主引用文献 | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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