7P6S
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | 登録日 | 2021-07-17 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6T
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | 登録日 | 2021-07-17 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6R
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | 登録日 | 2021-07-17 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7PFP
| Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | 登録日 | 2021-08-11 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7Q3N
| Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, Type 1 fimbiral adhesin FimH, ... | 著者 | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | 登録日 | 2021-10-28 | 公開日 | 2022-03-16 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7RSJ
| Structure of the VPS34 kinase domain with compound 14 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | 登録日 | 2021-08-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSP
| Structure of the VPS34 kinase domain with compound 14 | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | 登録日 | 2021-08-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
| Structure of the VPS34 kinase domain with compound 5 | 分子名称: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | 登録日 | 2021-08-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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5XHS
| Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | 分子名称: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | 著者 | Yu, Y, Li, B, Chen, Q. | 登録日 | 2017-04-24 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Adv, 7, 2017
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7YRV
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7YRW
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7YRX
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2K9U
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8C3A
| Crystal structure of ailanthone bound to the Candida albicans 80S ribosome | 分子名称: | 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | 著者 | Kolosova, O, Zgadzay, Y, Yusupov, M. | 登録日 | 2022-12-23 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | New crystal system to promote screening for new eukaryotic inhibitors To Be Published
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7YQE
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6IIK
| USP14 catalytic domain with IU1 | 分子名称: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | 著者 | Mei, Z.Q, Wang, Y.W, He, W, Wang, F. | 登録日 | 2018-10-06 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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6IIM
| USP14 catalytic domain with IU1-206 | 分子名称: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | 登録日 | 2018-10-07 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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6IIN
| USP14 catalytic domain with IU1-248 | 分子名称: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | 登録日 | 2018-10-07 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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5Y8W
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y94
| Crystal Structure Analysis of the BRD4 | 分子名称: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8Y
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8Z
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8C
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-21 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y93
| Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | 登録日 | 2017-08-22 | 公開日 | 2018-06-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5MES
| MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | 分子名称: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | 著者 | Hargreaves, D. | 登録日 | 2016-11-16 | 公開日 | 2017-01-18 | 最終更新日 | 2017-03-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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