7VXX
| Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | 分子名称: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | 著者 | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | 登録日 | 2021-11-13 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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4IVT
| Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION | 著者 | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | 登録日 | 2013-01-23 | 公開日 | 2013-11-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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4IVS
| Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide | 著者 | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | 登録日 | 2013-01-23 | 公開日 | 2013-11-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.636 Å) | 主引用文献 | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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6P7G
| The co-crystal structure of BRAF(V600E) with PHI1 | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Agianian, B, Gavathiotis, E. | 登録日 | 2019-06-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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6P3D
| The co-crystal structure of BRAF(V600E) with ponatinib | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | 著者 | Agianian, B, Gavathiotis, E. | 登録日 | 2019-05-23 | 公開日 | 2020-09-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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8DZH
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8DZI
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4NGA
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4NG9
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5OD6
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5ODG
| Crystal structure of Smad3-MH1 bound to the GGCT site. | 分子名称: | CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ... | 著者 | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | 登録日 | 2017-07-05 | 公開日 | 2017-11-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
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6YPI
| Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R | 分子名称: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ... | 著者 | Basler, S, Mori, T, Hilvert, D. | 登録日 | 2020-04-16 | 公開日 | 2021-04-28 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.479 Å) | 主引用文献 | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
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6UIP
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6EBA
| Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | 分子名称: | Major facilitator family transporter | 著者 | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | 登録日 | 2018-08-06 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.812 Å) | 主引用文献 | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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6E8J
| Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation | 分子名称: | Major facilitator family transporter | 著者 | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | 登録日 | 2018-07-30 | 公開日 | 2019-08-14 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (3.091 Å) | 主引用文献 | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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6E9C
| Selenomethionine Derivative Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster | 分子名称: | Major facilitator family transporter | 著者 | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | 登録日 | 2018-07-31 | 公開日 | 2019-08-14 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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7BWW
| Structure of the engineered metallo-Diels-Alderase DA7 W16S | 分子名称: | ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Basler, S, Mori, T, Hilvert, D. | 登録日 | 2020-04-16 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
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8DL5
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8EQW
| Crystal structure of Fub7 | 分子名称: | Sulfhydrylase FUB7 | 著者 | Hai, Y. | 登録日 | 2022-10-10 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERJ
| Crystal structure of Fub7 in complex with E-2-aminocrotonate | 分子名称: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7 | 著者 | Hai, Y. | 登録日 | 2022-10-12 | 公開日 | 2023-10-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERB
| Crystal structure of Fub7 in complex with vinylglycine ketimine | 分子名称: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7 | 著者 | Hai, Y. | 登録日 | 2022-10-11 | 公開日 | 2023-10-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8W4Q
| Crystal structure of PDE4D complexed with CX-4945 | 分子名称: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4R
| Crystal structure of PDE4D complexed with CVT-313 | 分子名称: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4S
| Crystal structure of PDE5A in complex with CVT-313 | 分子名称: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
| Crystal structure of PDE5A in complex with a novel inhibitor | 分子名称: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | 登録日 | 2023-08-24 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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