5YGY
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![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | 著者 | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | 登録日 | 2017-09-27 | 公開日 | 2018-05-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
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5YGX
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![BU of 5ygx by Molmil](/molmil-images/mine/5ygx) | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | 登録日 | 2017-09-27 | 公開日 | 2018-08-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization J. Med. Chem., 61, 2018
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3WQ9
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![BU of 3wq9 by Molmil](/molmil-images/mine/3wq9) | Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide | 分子名称: | 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide, Heat shock protein HSP 90-alpha | 著者 | Chong, K.T, Yamashita, S, Oshiumi, H, Uno, T, Kitade, M. | 登録日 | 2014-01-23 | 公開日 | 2015-02-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evolution of highly selective Hsp90 / inhibitors by structure and thermodynamics guided design To be Published
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8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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8AQ7
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![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | 分子名称: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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7XY8
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![BU of 7xy8 by Molmil](/molmil-images/mine/7xy8) | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | 分子名称: | Isoform 2 of Basigin, heavy chain, light chain | 著者 | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | 登録日 | 2022-06-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals. J Oncol, 2022, 2022
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7Y6L
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![BU of 7y6l by Molmil](/molmil-images/mine/7y6l) | |
7Y6N
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7X8W
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![BU of 7x8w by Molmil](/molmil-images/mine/7x8w) | |
7X8Y
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7X90
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![BU of 7x90 by Molmil](/molmil-images/mine/7x90) | |
7X92
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7X93
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7X95
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![BU of 7x95 by Molmil](/molmil-images/mine/7x95) | |
7X94
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7X96
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![BU of 7x96 by Molmil](/molmil-images/mine/7x96) | |
7X91
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![BU of 7x91 by Molmil](/molmil-images/mine/7x91) | |
7X8Z
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![BU of 7x8z by Molmil](/molmil-images/mine/7x8z) | |
2KP1
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![BU of 2kp1 by Molmil](/molmil-images/mine/2kp1) | |
2KP2
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5MXA
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![BU of 5mxa by Molmil](/molmil-images/mine/5mxa) | Structure of unbound Interleukin-23 | 分子名称: | Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Bloch, Y, Savvides, S.N. | 登録日 | 2017-01-22 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1. Immunity, 48, 2018
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3DR0
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![BU of 3dr0 by Molmil](/molmil-images/mine/3dr0) | Structure of reduced cytochrome c6 from Synechococcus sp. PCC 7002 | 分子名称: | Cytochrome c6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Bialek, W, Krzywda, S, Jaskolski, M, Szczepaniak, A. | 登録日 | 2008-07-10 | 公開日 | 2009-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Atomic-resolution structure of reduced cyanobacterial cytochrome c6 with an unusual sequence insertion Febs J., 276, 2009
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7DKJ
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5ZR3
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![BU of 5zr3 by Molmil](/molmil-images/mine/5zr3) | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | 分子名称: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | 著者 | Uno, T, Chong, K.T, Suzuki, T. | 登録日 | 2018-04-23 | 公開日 | 2019-01-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor. J. Med. Chem., 62, 2019
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