6JRK
| The structure of co-crystals of 8r-B-EGFR WT complex | 分子名称: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | 著者 | Zhu, S.J, Yun, C.H. | 登録日 | 2019-04-04 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | 主引用文献 | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S). J.Med.Chem., 62, 2019
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6JRJ
| The structure of co-crystals of 8r-B-EGFR T790M/C797S complex | 分子名称: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | 著者 | Zhu, S.J, Yun, C.H. | 登録日 | 2019-04-04 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.943 Å) | 主引用文献 | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S). J.Med.Chem., 62, 2019
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4OHB
| Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens | 分子名称: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase | 著者 | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | 登録日 | 2014-01-17 | 公開日 | 2014-06-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry Nucleic Acids Res., 42, 2014
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4UZ1
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4UYZ
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4UZA
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4UZK
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4UZJ
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4UZ9
| STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VII - SOS COMPLEX - 2.2A | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Zebisch, M, Jones, E.Y. | 登録日 | 2014-09-04 | 公開日 | 2015-02-25 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Notum Deacylates Wnt Proteins to Suppress Signalling Activity. Nature, 519, 2015
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4UZL
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4UYW
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5HKH
| Crystal structure of Ufm1 in complex with UBA5 | 分子名称: | ASP-ASN-GLU-TRP-GLY-ILE-GLU-LEU-VAL, Ubiquitin-fold modifier 1 | 著者 | Huber, J, Doetsch, V, Rogov, V.V, Akutsu, M. | 登録日 | 2016-01-14 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural and Functional Analysis of a Novel Interaction Motif within UFM1-activating Enzyme 5 (UBA5) Required for Binding to Ubiquitin-like Proteins and Ufmylation. J.Biol.Chem., 291, 2016
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7S4F
| Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | 著者 | Brandao, T.A.S, Hengge, A.C, Johnson, S.J. | 登録日 | 2021-09-08 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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8TGO
| Crystal structure of the BG505 triple tandem trimer gp140 HIV-1 Env in complex with PGT124 and 35O22 | 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, 35O22 scFv, ... | 著者 | Xian, Y, Yuan, M, Wilson, I.A. | 登録日 | 2023-07-12 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (5.75 Å) | 主引用文献 | Triple tandem trimer immunogens for HIV-1 and influenza nucleic acid-based vaccines. Npj Vaccines, 9, 2024
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7WBI
| BF2*1901-FLU | 分子名称: | Beta-2-microglobulin, ILE-ARG-HIS-GLU-ASN-ARG-MET-VAL-LEU, MHC class I alpha chain 2 | 著者 | Liu, W.J. | 登録日 | 2021-12-16 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease. J Immunol., 210, 2023
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7WBG
| BF2*1901/RY8 | 分子名称: | ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I alpha chain 2 | 著者 | Liu, W.J. | 登録日 | 2021-12-16 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease. J Immunol., 210, 2023
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8B56
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | 分子名称: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | 著者 | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | 登録日 | 2022-09-21 | 公開日 | 2023-08-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | 主引用文献 | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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4OHR
| Crystal structure of MilB from Streptomyces rimofaciens | 分子名称: | CMP/hydroxymethyl CMP hydrolase | 著者 | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | 登録日 | 2014-01-17 | 公開日 | 2014-06-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry Nucleic Acids Res., 42, 2014
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5F3F
| Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain | 分子名称: | 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH | 著者 | Klein, R.D, Hultgren, S.J. | 登録日 | 2015-12-02 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections. J.Med.Chem., 59, 2016
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6XRZ
| The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | 分子名称: | Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | 著者 | Zhang, K, Zheludev, I, Hagey, R, Wu, M, Haslecker, R, Hou, Y, Kretsch, R, Pintilie, G, Rangan, R, Kladwang, W, Li, S, Pham, E, Souibgui, C, Baric, R, Sheahan, T, Souza, V, Glenn, J, Chiu, W, Das, R. | 登録日 | 2020-07-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome. Biorxiv, 2020
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6WMI
| ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | 著者 | Ren, R, Horton, J.R, Cheng, X. | 登録日 | 2020-04-21 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression. Mol.Cell, 81, 2021
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8VSG
| SARS-CoV-2 main protease with covalent inhibitor | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Bell, J.A, Bandera, A.M. | 登録日 | 2024-01-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | 主引用文献 | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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9EPV
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | 分子名称: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EQ0
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | 著者 | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EPY
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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