PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
5WOP	High Resolution Structure of Mutant CA09-PB2cap 分子名称: GLYCEROL, Polymerase PB2 著者 Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M. 登録日 2017-08-02 公開日 2017-12-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding. Acta Crystallogr F Struct Biol Commun, 74, 2018
5WI9	Crystal structure of KL with an agonist Fab 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ... 著者 Johnstone, S, Min, X, Wang, Z. 登録日 2017-07-18 公開日 2018-07-25 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions. J. Biol. Chem., 293, 2018
8DGP	14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide 分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ... 著者 Roy, M.J, Hardy, J.M, Lucet, I.S. 登録日 2022-06-24 公開日 2023-06-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling. Nat Commun, 14, 2023
5LK3	Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 500 mM KCL 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ... 著者 Guardado-Calvo, P, Rey, F.A. 登録日 2016-07-20 公開日 2016-09-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc. Plos Pathog., 12, 2016
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
7XIU	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-14 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
5LKV	Dehaloperoxidase B from Amphitrite ornata: imidazole complex 分子名称: Dehaloperoxidase B, GLYCEROL, IMIDAZOLE, ... 著者 Chicano, T.M, Dworkowski, F.S.N, Hough, M.A. 登録日 2016-07-25 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Dehaloperoxidase B from Amphitrite ornata: imidazole complex to be published
8D7I	Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus 分子名称: Cathepsin G, C-terminal truncated form, Extracellular Adherence Protein, ... 著者 Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V. 登録日 2022-06-07 公開日 2023-06-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.63 Å) 主引用文献 Bifunctional Inhibition of Neutrophil Elastase and Cathepsin G by Eap1 from S. aureus To Be Published
7XIT	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-14 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
8PI3	Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... 著者 Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. 登録日 2023-06-21 公開日 2024-06-05 最終更新日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 20, 2024
7XJ7	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-15 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
5WK7	P450cam mutant R186A 分子名称: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... 著者 Batabyal, D, Poulos, T.L. 登録日 2017-07-24 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.983 Å) 主引用文献 Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
7XJ5	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-15 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
8PWX	PfRH5 bound to monoclonal antibody R5.008 分子名称: GLYCEROL, Reticulocyte-binding protein homolog 5, scFv fragment for antibody R5.008 著者 Farrell, B, Higgins, M.K. 登録日 2023-07-21 公開日 2024-06-05 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 PfRH5 bound to monoclonal antibody R5.008 To Be Published
5EJE	Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a 分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION 著者 Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E. 登録日 2015-11-01 公開日 2016-11-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for ligand binding to an enzyme by a conformational selection pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7XJ4	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-15 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
5WKI	Crystal structure of PG90 TCR-CD1b-PG complex 分子名称: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Shahine, A, Gras, S, Rossjohn, J. 登録日 2017-07-25 公開日 2017-11-01 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
5M19	Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand 分子名称: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid 著者 Molina, R, Batuecas, M.T, Hermoso, J.A. 登録日 2016-10-07 公開日 2017-02-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
7XIS	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester 分子名称: (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ... 著者 Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. 登録日 2022-04-14 公開日 2022-04-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
8PAA	Crystal structure of the metallo-beta-lactamase VIM1 with 2552 分子名称: 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION 著者 Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. 登録日 2023-06-07 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Crystal structure of the metallo-beta-lactamase VIM1 with 2552 To Be Published
8PAN	Crystal structure of the metallo-beta-lactamase VIM1 with 2653 分子名称: 7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION 著者 Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. 登録日 2023-06-08 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal structure of the metallo-beta-lactamase VIM1 with 2653 To Be Published
5EJM	ThDP-Mn2+ complex of R413A variant of EcMenD soaked with 2-ketoglutarate for 35 min 分子名称: (4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... 著者 Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. 登録日 2015-11-02 公開日 2016-11-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Two active site arginines are critical determinants of substrate binding and catalysis in MenD, a thiamine-dependent enzyme in menaquinone biosynthesis. Biochem. J., 2018
5WZT	Crystal structure of human secreted phospholipase A2 group IIE with Compound 14 分子名称: 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Hou, S, Xu, J, Xu, T, Liu, J. 登録日 2017-01-18 公開日 2018-01-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
5M3E	Macrodomain of Thermus aquaticus DarG in complex with ADP-ribose 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Appr-1-p processing domain protein, CHLORIDE ION 著者 Ariza, A. 登録日 2016-10-14 公開日 2016-12-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA. Mol. Cell, 64, 2016

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