5LSD
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![BU of 5lsd by Molmil](/molmil-images/mine/5lsd) | recombinant mouse Nerve Growth Factor | 分子名称: | Beta-nerve growth factor | 著者 | Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A. | 登録日 | 2016-08-25 | 公開日 | 2017-07-05 | 最終更新日 | 2024-07-03 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor. Front Mol Biosci, 3, 2016
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8C6P
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![BU of 8c6p by Molmil](/molmil-images/mine/8c6p) | Fragment screening hit I bound to endothiapepsin | 分子名称: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C70
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![BU of 8c70 by Molmil](/molmil-images/mine/8c70) | Pyrrolidine fragment 1 bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6Q
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![BU of 8c6q by Molmil](/molmil-images/mine/8c6q) | Fragment screening hit II bound to endothiapepsin | 分子名称: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C71
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![BU of 8c71 by Molmil](/molmil-images/mine/8c71) | Pyrrolidine fragment 5b bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C72
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![BU of 8c72 by Molmil](/molmil-images/mine/8c72) | Pyrrolidine fragment 10b bound to endothiapepsin | 分子名称: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C74
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![BU of 8c74 by Molmil](/molmil-images/mine/8c74) | Pyrrolidine fragment 10d bound to endothiapepsin | 分子名称: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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6ZOI
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![BU of 6zoi by Molmil](/molmil-images/mine/6zoi) | A lid blocking mechanism of a cone snail toxin revealed at the atomic level | 分子名称: | Conknunitzin-C3 mutante | 著者 | Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I. | 登録日 | 2020-07-07 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | A lid blocking mechanism of a cone snail toxin revealed at the atomic level To Be Published
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6ZWK
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![BU of 6zwk by Molmil](/molmil-images/mine/6zwk) | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | 分子名称: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | 著者 | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | 登録日 | 2020-07-28 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress. Cancers (Basel), 13, 2021
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8C6S
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![BU of 8c6s by Molmil](/molmil-images/mine/8c6s) | Fragment screening hit III bound to endothiapepsin | 分子名称: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6T
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![BU of 8c6t by Molmil](/molmil-images/mine/8c6t) | Fragment screening hit IV bound to endothiapepsin | 分子名称: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2023-01-12 | 公開日 | 2023-05-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C0Z
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![BU of 8c0z by Molmil](/molmil-images/mine/8c0z) | CryoEM structure of a tungsten-containing aldehyde oxidoreductase from Aromatoleum aromaticum | 分子名称: | Aldehyde:ferredoxin oxidoreductase,tungsten-containing, BENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Winiarska, A, Ramirez-Amador, F, Hege, D, Gemmecker, Y, Prinz, S, Hochberg, G, Heider, J, Szaleniec, M, Schuller, J.M. | 登録日 | 2022-12-19 | 公開日 | 2023-05-31 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | A bacterial tungsten-containing aldehyde oxidoreductase forms an enzymatic decorated protein nanowire. Sci Adv, 9, 2023
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | 著者 | Ogg, D.J, Gerhardt, S, Hargreaves, D. | 登録日 | 2012-10-05 | 公開日 | 2012-10-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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5MA8
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![BU of 5ma8 by Molmil](/molmil-images/mine/5ma8) | GFP-binding DARPin 3G124nc | 分子名称: | GA-binding protein subunit beta-1, Green fluorescent protein | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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5MBD
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![BU of 5mbd by Molmil](/molmil-images/mine/5mbd) | Structure of a bacterial light-regulated adenylyl cylcase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6ZX9
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![BU of 6zx9 by Molmil](/molmil-images/mine/6zx9) | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | 分子名称: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | 著者 | Schwefel, D, Banchenko, S. | 登録日 | 2020-07-29 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.519729 Å) | 主引用文献 | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses. Plos Pathog., 17, 2021
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5MCU
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![BU of 5mcu by Molmil](/molmil-images/mine/5mcu) | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG2) | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | 著者 | Golovenko, D, Rozenberg, H, Shakked, Z. | 登録日 | 2016-11-10 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins. Structure, 26, 2018
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3V9J
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![BU of 3v9j by Molmil](/molmil-images/mine/3v9j) | |
6ZUE
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![BU of 6zue by Molmil](/molmil-images/mine/6zue) | |
2IT7
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![BU of 2it7 by Molmil](/molmil-images/mine/2it7) | |
5MCS
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![BU of 5mcs by Molmil](/molmil-images/mine/5mcs) | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens | 分子名称: | HEME C, Lipoprotein cytochrome c, 1 heme-binding site | 著者 | Dantas, J.M, Silva, M.A, Morgado, L, Pantoja-Uceda, D, Turner, D.L, Bruix, M, Salgueiro, C.A. | 登録日 | 2016-11-10 | 公開日 | 2017-04-12 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens. Biochim. Biophys. Acta, 1858, 2017
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8CR7
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![BU of 8cr7 by Molmil](/molmil-images/mine/8cr7) | |
5MBJ
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![BU of 5mbj by Molmil](/molmil-images/mine/5mbj) | Structure of a bacterial light-regulated adenylyl cyclase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5MA6
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![BU of 5ma6 by Molmil](/molmil-images/mine/5ma6) | GFP-binding DARPin 3G124nc | 分子名称: | 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ... | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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8CR3
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![BU of 8cr3 by Molmil](/molmil-images/mine/8cr3) | |