8P9K
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9J
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9I
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9H
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9G
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9F
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9E
| Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | 分子名称: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | 著者 | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-05 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma. Cell Death Dis, 14, 2023
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8P9D
| Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 A2 | 分子名称: | Darpin 1810 A2, Tumor protein 63, Tumor protein p73 | 著者 | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-05 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma. Cell Death Dis, 14, 2023
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8P99
| SARS-CoV-2 S-protein:D614G mutant in 1-up conformation | 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, Spike protein S1,Spike glycoprotein | 著者 | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | 登録日 | 2023-06-05 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein. J.Med.Chem., 66, 2023
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8P95
| Crystal structure of the metallo-beta-lactamase VIM1 with 2407 | 分子名称: | 3-(2-ethoxypyridin-3-yl)-7-propan-2-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 | 2023-06-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2407 To Be Published
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8P93
| Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | 分子名称: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-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 | 2023-06-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 To Be Published
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8P92
| Crystal structure of the metallo-beta-lactamase VIM1 with 2117 | 分子名称: | 3-[(1~{S})-1-phenylethoxy]-7-propan-2-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 | 2023-06-05 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 To Be Published
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8P8Z
| Crystal structure of the metallo-beta-lactamase VIM1 with 1963 | 分子名称: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-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 | 2023-06-04 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 To Be Published
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8P8Y
| Crystal structure of the metallo-beta-lactamase VIM1 with 1657 | 分子名称: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-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 | 2023-06-04 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 1657 To Be Published
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8P8X
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8P8T
| Ex vivo Ym2 crystal structure | 分子名称: | Chitinase-like protein 4, GLYCEROL | 著者 | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N. | 登録日 | 2023-06-02 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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8P8S
| Recombinant Ym2 crystal structure | 分子名称: | 1,2-ETHANEDIOL, Chitinase-like protein 4 | 著者 | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N. | 登録日 | 2023-06-02 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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8P8R
| Ex vivo Ym1 crystal structure | 分子名称: | 1,2-ETHANEDIOL, Chitinase-like protein 3 | 著者 | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N. | 登録日 | 2023-06-02 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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8P8Q
| Recombinant Ym1 crystal structure | 分子名称: | ACETATE ION, Chitinase-like protein 3, GLYCEROL | 著者 | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N. | 登録日 | 2023-06-02 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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8P8G
| Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | 著者 | Maslac, N, Wagner, T. | 登録日 | 2023-06-01 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity. Jacs Au, 3, 2023
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8P87
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-31 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P86
| Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-05-31 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P84
| X-ray structure of Thermoanaerobacterales bacterium monoamine oxidase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Basile, L, Santema, L.L, Fraaije, M.W, Binda, C. | 登録日 | 2023-05-31 | 公開日 | 2023-10-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and structural characterization of a thermostable bacterial monoamine oxidase. Febs J., 291, 2024
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8P7V
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | 著者 | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7U
| The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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