3G6L
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3G6M
| crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine | 分子名称: | CAFFEINE, Chitinase | 著者 | Gan, Z, Yang, J, Lou, Z, Rao, Z, Zhang, K.-Q. | 登録日 | 2009-02-06 | 公開日 | 2010-02-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine Microbiology, 156, 2010
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5JMV
| Crystal structure of mjKae1-pfuPcc1 complex | 分子名称: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein, ... | 著者 | Wan, L, Sicheri, F. | 登録日 | 2016-04-29 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.3864696 Å) | 主引用文献 | Structural and functional characterization of KEOPS dimerization by Pcc1 and its role in t6A biosynthesis. Nucleic Acids Res., 44, 2016
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5H25
| EED in complex with PRC2 allosteric inhibitor compound 11 | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | 分子名称: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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1IYJ
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6OWH
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-05-09 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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3TWJ
| Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447 | 分子名称: | 1,2-ETHANEDIOL, 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2011-09-21 | 公開日 | 2012-08-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer. Cancer Res., 72, 2012
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6P4Z
| Structure of gadolinium-caged cobalt (III) insulin hexamer | 分子名称: | CHLORIDE ION, COBALT (II) ION, GADOLINIUM ATOM, ... | 著者 | Tran, T.H, Taylor, S.K, Stojanovic, M.N, Tong, L. | 登録日 | 2019-05-29 | 公開日 | 2019-06-12 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Insulin Hexamer-Caged Gadolinium Ion as MRI Contrast-o-phore ChemBioChem, 24, 2018
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6PDG
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 | 分子名称: | 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.919 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDA
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.448 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDE
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDC
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PD9
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDF
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PD8
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39 | 分子名称: | 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.738 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDB
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDD
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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7R7I
| Structure of human SHP2 in complex with compound 27 | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R75
| Structure of human SHP2 in complex with compound 16 | 分子名称: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7L
| Structure of human SHP2 in complex with compound 30 | 分子名称: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7D
| Structure of human SHP2 in complex with compound 22 | 分子名称: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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5GSW
| Crystal structure of EV71 3C in complex with N69S 1.8k | 分子名称: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | 著者 | Wang, Y. | 登録日 | 2016-08-17 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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5GSO
| Crystal Structures of EV71 3C Protease in complex with NK-1.8k | 分子名称: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | 著者 | Wang, Y. | 登録日 | 2016-08-16 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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7C1D
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