8CT8
| Crystal structure of Drosophila melanogaster PRL/CBS-pair domain complex | 分子名称: | IODIDE ION, PRL-1 phosphatase, Unextended protein | 著者 | Fakih, R, Goldstein, R.H, Kozlov, G, Gehring, K. | 登録日 | 2022-05-13 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Burst kinetics and CNNM binding are evolutionarily conserved properties of phosphatases of regenerating liver. J.Biol.Chem., 299, 2023
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8CT6
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8CT2
| Local refinement of AQP1 tetramer (C1; refinement mask included D1 of protein 4.2 and Ankyrin-1 AR1-5) in Class 2 of erythrocyte ankyrin-1 complex | 分子名称: | Aquaporin-1, CHOLESTEROL | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-13 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CSX
| Local refinement of RhAG/CE trimer in class 2 of erythrocyte ankyrin-1 complex | 分子名称: | Ammonium transporter Rh type A, Blood group Rh(CE) polypeptide, CHOLESTEROL, ... | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-13 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CSL
| Sub-tomogram averaging of erythrocyte ankyrin-1 complex | 分子名称: | Ammonium transporter Rh type A, Ankyrin-1, Band 3 anion transport protein, ... | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-12 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (25 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CS9
| Composite reconstruction of Class 1 of the erythrocyte ankyrin-1 complex | 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, Ammonium transporter Rh type A, ... | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-12 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CRT
| Local refinement of Rh trimer, glycophorin B and Band3-III transmembrane region, class 1a of erythrocyte ankyrin-1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Band 3 anion transport protein, ... | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-11 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CRS
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8CRM
| Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data | 分子名称: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | 登録日 | 2023-03-08 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8CRK
| Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data | 分子名称: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | 著者 | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | 登録日 | 2023-03-08 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8CRJ
| Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes) | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ... | 著者 | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | 登録日 | 2023-03-08 | 公開日 | 2023-06-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl., 62, 2023
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8CRG
| E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase | 著者 | Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E. | 登録日 | 2023-03-08 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase. Biochemistry, 62, 2023
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8CRF
| Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data | 分子名称: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | 著者 | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | 登録日 | 2023-03-08 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8CRD
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8CRC
| Structure of human Plk1 PBD in complex with Allopole-A | 分子名称: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1 | 著者 | Kirsch, K, Park, J.E, Lee, K.S. | 登録日 | 2023-03-08 | 公開日 | 2023-08-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition. Proc.Natl.Acad.Sci.USA, 120, 2023
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8CQZ
| Homo sapiens Get3 in complex with the Get1 cytoplasmic domain | 分子名称: | ATPase ASNA1, Guided entry of tail-anchored proteins factor 1 | 著者 | McDowell, M.A, Heimes, M, Wild, K, Saar, D, Sinning, I. | 登録日 | 2023-03-07 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The GET insertase exhibits conformational plasticity and induces membrane thinning. Nat Commun, 14, 2023
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8CQU
| Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1680) | 分子名称: | CITRIC ACID, Putative NADH dehydrogenase/NAD(P)H nitroreductase, TERTIARY-BUTYL ALCOHOL | 著者 | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | 登録日 | 2023-03-07 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQM
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8CQL
| pVHL:EloB:EloC in complex with (2S,4R)-N-((S)-1-(5-Fluoro-2-methoxy-4-(4-methylthiazol-5-yl)phenyl)ethyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (Compound 33) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
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8CQK
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 30) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
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8CQE
| pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 37) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M. | 登録日 | 2023-03-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers. J.Med.Chem., 66, 2023
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8CQA
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8CQ9
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-(cyclopropylethynyl)-6-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine, COBALT (II) ION, ... | 著者 | Kirkman, T.J, Dias, M.V.B, Coyne, A.G. | 登録日 | 2023-03-04 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Expansion of a series of pyrimidine derivatives utilising fragment-based merging leads to increased affinity to Mycobacterium tuberculosis dihydrofolate reductase (unpublished currently) To Be Published
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8CQ8
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8CQ3
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