7NB2
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![BU of 7nb2 by Molmil](/molmil-images/mine/7nb2) | Crystal structure of human choline alpha in complex with an inhibitor | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ... | 著者 | Casale, E, Fasolini, M. | 登録日 | 2021-01-25 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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7NB3
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5J3H
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![BU of 5j3h by Molmil](/molmil-images/mine/5j3h) | Human insulin receptor domains L1-CR in complex with peptide S519C16 and 83-7 Fv | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lawrence, M, Menting, J, Lawrence, C. | 登録日 | 2016-03-30 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | 主引用文献 | Insulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor. J.Biol.Chem., 291, 2016
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7PZ1
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![BU of 7pz1 by Molmil](/molmil-images/mine/7pz1) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | 分子名称: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | 著者 | Scaletti, E.R, Helleday, T, Stenmark, P. | 登録日 | 2021-10-11 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem, 18, 2023
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7QGW
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![BU of 7qgw by Molmil](/molmil-images/mine/7qgw) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | 登録日 | 2021-12-10 | 公開日 | 2022-12-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKB
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![BU of 7qkb by Molmil](/molmil-images/mine/7qkb) | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | 分子名称: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKA
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![BU of 7qka by Molmil](/molmil-images/mine/7qka) | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKC
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![BU of 7qkc by Molmil](/molmil-images/mine/7qkc) | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7B85
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![BU of 7b85 by Molmil](/molmil-images/mine/7b85) | Crystal Structure of EGFR-WT in Complex with TAK-788 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-12-12 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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4EQQ
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![BU of 4eqq by Molmil](/molmil-images/mine/4eqq) | Structure of Ltp, a superinfection exclusion protein from the Streptococcus thermophilus temperate phage TP-J34 | 分子名称: | PHOSPHATE ION, Putative host cell surface-exposed lipoprotein, SULFATE ION | 著者 | Bebeacua, C, Lorenzo, C, Blangy, S, Spinelli, S, Heller, K, Cambillau, C. | 登録日 | 2012-04-19 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray structure of a superinfection exclusion lipoprotein from phage TP-J34 and identification of the tape measure protein as its target. Mol.Microbiol., 89, 2013
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7A6I
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![BU of 7a6i by Molmil](/molmil-images/mine/7a6i) | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-08-25 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6J
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![BU of 7a6j by Molmil](/molmil-images/mine/7a6j) | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-08-25 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6K
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![BU of 7a6k by Molmil](/molmil-images/mine/7a6k) | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | 分子名称: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2020-08-25 | 公開日 | 2022-02-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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4N1U
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![BU of 4n1u by Molmil](/molmil-images/mine/4n1u) | Structure of human MTH1 in complex with TH588 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION | 著者 | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | 登録日 | 2013-10-04 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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4N1T
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![BU of 4n1t by Molmil](/molmil-images/mine/4n1t) | Structure of human MTH1 in complex with TH287 | 分子名称: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | 登録日 | 2013-10-04 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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7ZUN
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![BU of 7zun by Molmil](/molmil-images/mine/7zun) | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound | 分子名称: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1 | 著者 | Casale, E. | 登録日 | 2022-05-12 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids. Chirality, 34, 2022
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8BJ7
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8BJ8
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6W4X
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![BU of 6w4x by Molmil](/molmil-images/mine/6w4x) | Holocomplex of E. coli class Ia ribonucleotide reductase with GDP and TTP | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ... | 著者 | Kang, G, Taguchi, A, Stubbe, J, Drennan, C. | 登録日 | 2020-03-11 | 公開日 | 2020-04-08 | 最終更新日 | 2020-05-06 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of a trapped radical transfer pathway within a ribonucleotide reductase holocomplex. Science, 368, 2020
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8E5F
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![BU of 8e5f by Molmil](/molmil-images/mine/8e5f) | Cryo-EM of P. calidifontis cytochrome filament | 分子名称: | HEME C, c-type cytochrome | 著者 | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | 登録日 | 2022-08-22 | 公開日 | 2023-05-10 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes. Cell, 186, 2023
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8E5G
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![BU of 8e5g by Molmil](/molmil-images/mine/8e5g) | Cryo-EM of A. veneficus cytochrome filament | 分子名称: | HEME C, c-type cytochrome | 著者 | Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H. | 登録日 | 2022-08-22 | 公開日 | 2023-05-10 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes. Cell, 186, 2023
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4AQP
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![BU of 4aqp by Molmil](/molmil-images/mine/4aqp) | The structure of the AXH domain of ataxin-1. | 分子名称: | ATAXIN-1, DI(HYDROXYETHYL)ETHER, SODIUM ION | 著者 | Rees, M, Chen, Y.W, de Chiara, C, Pastore, A. | 登録日 | 2012-04-19 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.452 Å) | 主引用文献 | Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold Biophys.J., 104, 2013
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4APT
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![BU of 4apt by Molmil](/molmil-images/mine/4apt) | The structure of the AXH domain of ataxin-1. | 分子名称: | ATAXIN-1, SODIUM ION | 著者 | Rees, M, Chen, Y.W, de Chiara, C, Pastore, A. | 登録日 | 2012-04-05 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold Biophys.J., 104, 2013
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3ZXI
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![BU of 3zxi by Molmil](/molmil-images/mine/3zxi) | Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with a tyrosyl-adenylate analog | 分子名称: | PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER, TYROSYL-TRNA SYNTHETASE, MITOCHONDRIAL | 著者 | Bonnefond, L, Frugier, M, Rudinger-Thirion, J, Balg, C, Chenevert, R, Lorber, B, Giege, R, Sauter, C. | 登録日 | 2011-08-11 | 公開日 | 2011-11-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination Cryst.Growth Des., 11, 2011
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6WQU
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![BU of 6wqu by Molmil](/molmil-images/mine/6wqu) | CSL (RBPJ) bound to Notch3 RAM and DNA | 分子名称: | DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Neurogenic locus notch homolog protein 3, ... | 著者 | Kovall, R.A, Gagliani, E, Hall, D. | 登録日 | 2020-04-29 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | PIM-induced phosphorylation of Notch3 promotes breast cancer tumorigenicity in a CSL-independent fashion. J.Biol.Chem., 296, 2021
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