8ZUB
 
 | | The Crystal structure of mol075 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-pentyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | | 著者 | Yan, M, Zhang, H. | | 登録日 | 2024-06-08 | | 公開日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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8ZUC
 | | The Crystal structure of mol080 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 3C-like proteinase, 6-[[6-chloranyl-2-(3-methylbutyl)indazol-5-yl]amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | | 著者 | Yan, M, Zhang, H. | | 登録日 | 2024-06-08 | | 公開日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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8ZT9
 | | The Crystal structure of mol066 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 3C-like proteinase, 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione, GLYCEROL | | 著者 | Yan, M, Zhang, H. | | 登録日 | 2024-06-06 | | 公開日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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8HPB
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8HQB
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3S8M
 | | The Crystal Structure of FabV | | 分子名称: | Enoyl-ACP Reductase | | 著者 | Li, H, Zhang, X.L, Bi, L.J, He, J, Jiang, T. | | 登録日 | 2011-05-29 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Determination of the Crystal Structure and Active Residues of FabV, the Enoyl-ACP Reductase from Xanthomonas oryzae.
Plos One, 6, 2011
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2IIT
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | 分子名称: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G, Biftu, T, Weber, A.E. | | 登録日 | 2006-09-28 | | 公開日 | 2006-11-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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5KE7
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9BKM
 | | DHODH in complex with Ligand 10 | | 分子名称: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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9BKN
 | | DHODH in complex with Ligand 16 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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9BKO
 | | DHODH in complex with Ligand 26 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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2IIV
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | 分子名称: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 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 | Scapin, G, Weber, A.E, Biftu, T. | | 登録日 | 2006-09-28 | | 公開日 | 2006-11-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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5K5I
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5KE6
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5KEB
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9Q90
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8I8A
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8I8C
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8I8B
 | | Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | | 分子名称: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | | 著者 | Jia, X, Gao, Y, Zhang, Q. | | 登録日 | 2023-02-03 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (4.31 Å) | | 主引用文献 | Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
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8I4U
 | | Cryo-EM structure of 5-subunit Smc5/6 hinge region | | 分子名称: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | | 著者 | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | 登録日 | 2023-01-21 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (6.73 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4V
 | | Cryo-EM structure of 5-subunit Smc5/6 arm region | | 分子名称: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | | 登録日 | 2023-01-21 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (5.97 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I13
 | | Cryo-EM structure of 6-subunit Smc5/6 | | 分子名称: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | | 著者 | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | | 登録日 | 2023-01-12 | | 公開日 | 2024-06-26 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4X
 | | Cryo-EM structure of 5-subunit Smc5/6 | | 分子名称: | E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ... | | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | 登録日 | 2023-01-21 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4W
 | | Cryo-EM structure of 5-subunit Smc5/6 head region | | 分子名称: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ... | | 著者 | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L. | | 登録日 | 2023-01-21 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (6.01 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8HQS
 | | Cryo-EM structure of 8-subunit Smc5/6 head region | | 分子名称: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ... | | 著者 | Qian, L, Jun, Z, Xiang, Z, Tong, C, Wang, Z, Duo, J, Zhenguo, C, Wang, L. | | 登録日 | 2022-12-14 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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