7X7D
| SARS-CoV-2 Delta RBD and Nb22 | 分子名称: | Nb22, Spike protein S1 | 著者 | Wang, Y, Ye, S. | 登録日 | 2022-03-09 | 公開日 | 2022-04-13 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22). Front Immunol, 13, 2022
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7X7E
| SARS-CoV-2 RBD and Nb22 | 分子名称: | Nb22, Spike protein S1, TETRAETHYLENE GLYCOL | 著者 | Wang, Y, Ye, S. | 登録日 | 2022-03-09 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22). Front Immunol, 13, 2022
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6DEO
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7XKC
| Crystal structure of Daucus Carrot hypoglycemic peptide (DCHP) | 分子名称: | DCHP, SULFATE ION | 著者 | Guo, T, Ren, J.Q, Wang, L, Shi, Y.W, Feng, W. | 登録日 | 2022-04-19 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Characterization of a thermostable, protease-tolerant inhibitor of alpha-glycosidase from carrot: A potential oral additive for treatment of diabetes. Int.J.Biol.Macromol., 209, 2022
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6DEQ
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GD4
| Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | 分子名称: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-21 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCQ
| Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) | 分子名称: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCL
| Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | 分子名称: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCP
| Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) | 分子名称: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GDP
| Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) | 分子名称: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-24 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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4FOD
| Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 | 分子名称: | 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | 登録日 | 2012-06-20 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4FOC
| Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 | 分子名称: | ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | 登録日 | 2012-06-20 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4FRK
| Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a | 分子名称: | (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-06-26 | 公開日 | 2012-09-12 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4FRJ
| Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l | 分子名称: | (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-06-26 | 公開日 | 2012-09-12 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4FOB
| Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1 | 分子名称: | ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | 登録日 | 2012-06-20 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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5NUU
| Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | 分子名称: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, 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 | Caliandro, R, Pesaresi, A, Lamba, D. | 登録日 | 2017-05-02 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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4ATM
| Crystal structure of the BAR domain of human Amphiphysin, isoform 1 at 1.8 Angstrom resolution featuring increased order at the N- terminus. | 分子名称: | 1,2-ETHANEDIOL, AMPHIPHYSIN, GLYCEROL | 著者 | Allerston, C.K, Krojer, T, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | 登録日 | 2012-05-08 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | Crystal Structure of the Bar Domain of Human Amphiphysin, Isoform 1 To be Published
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7ATM
| Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) | 分子名称: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Newman, H, Bellini, B, Dowson, C.G. | 登録日 | 2020-10-30 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.582 Å) | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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3ATM
| Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Yamane, J, Yao, M, Tanaka, I. | 登録日 | 2011-01-05 | 公開日 | 2011-08-24 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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8ATM
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2ATM
| Crystal structure of the recombinant allergen Ves v 2 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hyaluronoglucosaminidase, SULFATE ION | 著者 | Skov, L.K, Seppala, U, Coen, J.J.F, Crickmore, N, King, T.P, Monsalve, R, Kastrup, J.S, Spangfort, M.D, Gajhede, M. | 登録日 | 2005-08-25 | 公開日 | 2006-05-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of recombinant Ves v 2 at 2.0 Angstrom resolution: structural analysis of an allergenic hyaluronidase from wasp venom. Acta Crystallogr.,Sect.D, 62, 2006
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9ATM
| SARS-CoV-2 EG.5 RBD bound to the VIR-7229 and the S2H97 Fab fragments | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rietz, T, Park, Y.J, Errico, J, Czudnochowski, N, Nix, J.C, Corti, D, Snell, G, Marco, A.D, Pinto, D, Cameroni, E, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | 登録日 | 2024-02-27 | 公開日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification. Cell, 2024
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6ATM
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8ATO
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4U36
| Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | 著者 | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | 登録日 | 2014-07-18 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins. Int.J.Biochem.Cell Biol., 59C, 2014
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