6W2I
| Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A | 分子名称: | GLYCEROL, UV excision repair protein RAD23 homolog A | 著者 | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | 登録日 | 2020-03-05 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST. J.Am.Chem.Soc., 145, 2023
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6W59
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063) | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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7FEI
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7F2L
| Crystal structure of PDE4D catalytic domain complexed with compound 18a | 分子名称: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.10111427 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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6YBF
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7BNT
| Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp. | 分子名称: | 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp. | 著者 | Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain. Elife, 10, 2021
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7F2M
| Crystal structure of PDE4D catalytic domain complexed with compound 18d | 分子名称: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.20004153 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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7F2K
| Crystal structure of PDE4D catalytic domain complexed with compound 17a | 分子名称: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, He, X, Luo, H.-B. | 登録日 | 2021-06-11 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.10001969 Å) | 主引用文献 | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
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6YEW
| Morganella morganii TcdA4 in complex with porcine mucosa heparin | 分子名称: | Insecticidal toxin protein | 著者 | Roderer, D, Broecker, F, Sitsel, O, Kaplonek, P, Leidreiter, F, Seeberger, P.H, Raunser, S. | 登録日 | 2020-03-25 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Glycan-dependent cell adhesion mechanism of Tc toxins. Nat Commun, 11, 2020
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6W49
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC010) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, Malic enzyme, ... | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-10 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W57
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC069) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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8C89
| SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | 分子名称: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | 登録日 | 2023-01-19 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (4.41 Å) | 主引用文献 | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity. Nat Commun, 15, 2024
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6W53
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC070) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W56
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC062) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6WE8
| YTH domain of human YTHDC1 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2020-04-01 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA. Nucleic Acids Res., 48, 2020
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8C58
| CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA | 分子名称: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ... | 著者 | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 52, 2024
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8C59
| CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA | 分子名称: | CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ... | 著者 | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 52, 2024
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7BD7
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8C57
| CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA | 分子名称: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ... | 著者 | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 52, 2024
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8C56
| CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA | 分子名称: | Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ... | 著者 | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | 登録日 | 2023-01-06 | 公開日 | 2024-01-17 | 最終更新日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 52, 2024
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8CDX
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6WLL
| Apo F. nucleatum glycine riboswitch models, 10.0 Angstrom resolution | 分子名称: | RNA (171-MER) | 著者 | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | 登録日 | 2020-04-20 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (10 Å) | 主引用文献 | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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6WE9
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4UJ5
| Crystal structure of human Rab11-Rabin8-FIP3 | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | 著者 | Vetter, M, Lorentzen, E. | 登録日 | 2015-04-08 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | 主引用文献 | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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6WLJ
| ATP-TTR-3 with AMP models, 9.6 Angstrom resolution | 分子名称: | RNA (130-MER) | 著者 | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | 登録日 | 2020-04-20 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (9.6 Å) | 主引用文献 | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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