3DB8
| Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041 | 分子名称: | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol, Polo-like kinase 1 | 著者 | Elling, R.A, Hanan, E.J, Lew, W, Romanowski, M.J. | 登録日 | 2008-05-30 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3DBE
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3DBD
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3DBC
| Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257 | 分子名称: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1 | 著者 | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | 登録日 | 2008-05-31 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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7S5B
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7N1J
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7N1K
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7N3T
| TrkA ECD complex with designed miniprotein ligand | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jude, K.M, Cao, L, Garcia, K.C. | 登録日 | 2021-06-01 | 公開日 | 2022-04-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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8CCX
| Human SOD1 in complex with S-XL6 cross-linker | 分子名称: | COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | 登録日 | 2023-01-27 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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7OPB
| IL7R in complex with an antagonist | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ... | 著者 | Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N. | 登録日 | 2021-05-31 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.144 Å) | 主引用文献 | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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6S8N
| Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide | 分子名称: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ... | 著者 | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | 登録日 | 2019-07-10 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism. Nat Commun, 10, 2019
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6S8H
| Cryo-EM structure of LptB2FG in complex with LPS | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | 登録日 | 2019-07-10 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism. Nat Commun, 10, 2019
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3DB6
| Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | 分子名称: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | 著者 | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | 登録日 | 2008-05-30 | 公開日 | 2008-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme. Acta Crystallogr.,Sect.F, 64, 2008
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6S8G
| Cryo-EM structure of LptB2FGC in complex with AMP-PNP | 分子名称: | Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ... | 著者 | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | 登録日 | 2019-07-10 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism. Nat Commun, 10, 2019
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4GII
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7N1W
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1Y
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1U
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1V
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1X
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1T
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1Q
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | 登録日 | 2021-05-28 | 公開日 | 2021-07-07 | 最終更新日 | 2021-08-18 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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6ZOQ
| Oestrogen receptor ligand binding domain in complex with compound 16 | 分子名称: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
| Oestrogen receptor ligand binding domain in complex with compound 28 | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | 著者 | Breed, J. | 登録日 | 2020-07-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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5WAL
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