8D56
| One RBD-up state of SARS-CoV-2 BA.2 variant spike protein | 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, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | 登録日 | 2022-06-04 | 公開日 | 2023-06-07 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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8D55
| Closed state of SARS-CoV-2 BA.2 variant spike protein | 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, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | 登録日 | 2022-06-04 | 公開日 | 2023-06-07 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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8D5A
| Middle state of SARS-CoV-2 BA.2 variant spike protein | 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, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B. | 登録日 | 2022-06-04 | 公開日 | 2023-06-07 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein. Nat.Struct.Mol.Biol., 30, 2023
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6KIK
| Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat | 分子名称: | Oxidoreductase, aldo/keto reductase family, TOLRESTAT | 著者 | Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R. | 登録日 | 2019-07-18 | 公開日 | 2019-09-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
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6KY6
| Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc | 分子名称: | 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R. | 登録日 | 2019-09-16 | 公開日 | 2019-10-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
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5KQX
| Protease E35D-SQV | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | 登録日 | 2016-07-06 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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5KR2
| Protease PR5-SQV | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | 登録日 | 2016-07-06 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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5KR0
| Protease E35D-APV | 分子名称: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | 登録日 | 2016-07-06 | 公開日 | 2016-09-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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1D7A
| CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX. | 分子名称: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE | 著者 | Mathews, I.I, Kappock, T.J, Stubbe, J, Ealick, S.E. | 登録日 | 1999-10-16 | 公開日 | 1999-12-03 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway. Structure Fold.Des., 7, 1999
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6XLY
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6INM
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-26 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMR
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-23 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMB
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | 著者 | Zhang, X, Su, H, Xu, Y. | 登録日 | 2018-10-22 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMI
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | 著者 | Zhang, X, Su, H, Xu, Y. | 登録日 | 2018-10-23 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6INK
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-25 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMD
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | 著者 | Zhang, X, Su, H, Xu, Y. | 登録日 | 2018-10-22 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6XOU
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6XOV
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6XOS
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6XOT
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6IND
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-24 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IM6
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-22 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMT
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-23 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMO
| Crystal structure of PDE4D complexed with a novel inhibitor | 分子名称: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Zhang, X.L, Su, H.X, Xu, Y.C. | 登録日 | 2018-10-23 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6KIY
| Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ... | 著者 | Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L. | 登録日 | 2019-07-20 | 公開日 | 2019-09-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
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