1K7V
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![BU of 1k7v by Molmil](/molmil-images/mine/1k7v) | Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,6Galbeta1,4Glc | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, agglutinin isolectin 3 | 著者 | Muraki, M, Ishimura, M, Harata, K. | 登録日 | 2001-10-22 | 公開日 | 2002-04-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Interactions of wheat-germ agglutinin with GlcNAc beta 1,6Gal sequence Biochim.Biophys.Acta, 1569, 2002
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7ERK
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![BU of 7erk by Molmil](/molmil-images/mine/7erk) | Crystal structure of V30M-TTR in complex with dasatinib | 分子名称: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Transthyretin | 著者 | Yokoyama, T, Kashihara, M, Mizuguchi, M. | 登録日 | 2021-05-06 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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5NW1
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![BU of 5nw1 by Molmil](/molmil-images/mine/5nw1) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 18) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Gadd, M.S, Soares, P, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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7ERH
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![BU of 7erh by Molmil](/molmil-images/mine/7erh) | Crystal structure of WT-TTR in complex with bithionol | 分子名称: | 2,2'-sulfanediylbis(4,6-dichlorophenol), CALCIUM ION, Transthyretin | 著者 | Yokoyama, T, Kashihara, M, Mizuguchi, M. | 登録日 | 2021-05-06 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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5UFR
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![BU of 5ufr by Molmil](/molmil-images/mine/5ufr) | Structure of RORgt bound to | 分子名称: | (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma | 著者 | Spurlino, J, Abad, M. | 登録日 | 2017-01-05 | 公開日 | 2017-04-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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7F1K
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![BU of 7f1k by Molmil](/molmil-images/mine/7f1k) | Designed enzyme RA61 M48K/I72D mutant: form IV | 分子名称: | Engineered Retroaldolase | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | 登録日 | 2021-06-09 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022
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1BS9
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![BU of 1bs9 by Molmil](/molmil-images/mine/1bs9) | ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS | 分子名称: | ACETYL XYLAN ESTERASE, SULFATE ION | 著者 | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | 登録日 | 1998-09-01 | 公開日 | 1999-05-18 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase. Acta Crystallogr.,Sect.D, 55, 1999
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7F1H
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![BU of 7f1h by Molmil](/molmil-images/mine/7f1h) | Designed enzyme RA61 M48K/I72D mutant: form I | 分子名称: | Engineered Retroaldolase, FORMIC ACID, GLYCEROL | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | 登録日 | 2021-06-09 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022
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7F1L
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![BU of 7f1l by Molmil](/molmil-images/mine/7f1l) | Designed enzyme RA61 M48K/I72D mutant: form V | 分子名称: | CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | 登録日 | 2021-06-09 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022
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7ERJ
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6T16
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![BU of 6t16 by Molmil](/molmil-images/mine/6t16) | ASR Alternansucrase in complex with panose | 分子名称: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ... | 著者 | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | 登録日 | 2019-10-03 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem., 295, 2020
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7F1J
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![BU of 7f1j by Molmil](/molmil-images/mine/7f1j) | Designed enzyme RA61 M48K/I72D mutant: form III | 分子名称: | Engineered Retroaldolase | 著者 | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | 登録日 | 2021-06-09 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022
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6SFH
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![BU of 6sfh by Molmil](/molmil-images/mine/6sfh) | CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 | 分子名称: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ... | 著者 | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2019-08-01 | 公開日 | 2020-04-15 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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5EKY
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![BU of 5eky by Molmil](/molmil-images/mine/5eky) | Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) | 分子名称: | 1,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase | 著者 | Classen, T, Dick, M, Pietruszka, J, Weiergraeber, O.H. | 登録日 | 2015-11-04 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies. Chem Sci, 7, 2016
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6PGJ
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![BU of 6pgj by Molmil](/molmil-images/mine/6pgj) | Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7) | 分子名称: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ... | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-24 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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7ERI
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1RYE
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![BU of 1rye by Molmil](/molmil-images/mine/1rye) | Crystal Structure of the Shifted Form of the Glucose-Fructose Oxidoreductase from Zymomonas mobilis | 分子名称: | BETA-MERCAPTOETHANOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Kim, Y, Arora, M, Straza, M, Donnelly, M, Joachimiak, A. | 登録日 | 2003-12-22 | 公開日 | 2005-02-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of the Shifted Form of the Glucose-Fructose Oxidoreductase from Zymomonas mobilis To be Published
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6GXW
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![BU of 6gxw by Molmil](/molmil-images/mine/6gxw) | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | 分子名称: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | 著者 | Shaik, T.B, Marek, M, Romier, C. | 登録日 | 2018-06-27 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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1K7T
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![BU of 1k7t by Molmil](/molmil-images/mine/1k7t) | Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,6Gal complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose, agglutinin isolectin 3 | 著者 | Muraki, M, Ishimura, M, Harata, K. | 登録日 | 2001-10-22 | 公開日 | 2002-04-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Interactions of wheat-germ agglutinin with GlcNAc beta 1,6Gal sequence Biochim.Biophys.Acta, 1569, 2002
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7LH9
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![BU of 7lh9 by Molmil](/molmil-images/mine/7lh9) | Crystal structure of BRPF2 PWWP domain in complex with DNA | 分子名称: | Bromodomain-containing protein 1, DNA | 著者 | Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC) | 登録日 | 2021-01-21 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains. Biochim Biophys Acta Gene Regul Mech, 1864, 2021
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5NVZ
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![BU of 5nvz by Molmil](/molmil-images/mine/5nvz) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Gadd, M.S, Soares, P, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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1BXZ
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![BU of 1bxz by Molmil](/molmil-images/mine/1bxz) | CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII | 分子名称: | 2-BUTANOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Li, C, Heatwole, J, Soelaiman, S, Shoham, M. | 登録日 | 1998-10-09 | 公開日 | 2000-02-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability. Proteins, 37, 1999
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7ZNX
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6H6N
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![BU of 6h6n by Molmil](/molmil-images/mine/6h6n) | UbiJ-SCP2 Ubiquinone synthesis protein | 分子名称: | CALCIUM ION, TERBIUM(III) ION, Ubiquinone biosynthesis protein UbiJ | 著者 | Fyfe, C.D, Legrand, P, Pecqueur, L, Ciccone, L, Lombard, M, Fontecave, M. | 登録日 | 2018-07-28 | 公開日 | 2019-02-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone. Cell Chem Biol, 26, 2019
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7OC8
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![BU of 7oc8 by Molmil](/molmil-images/mine/7oc8) | Trichoderma reesei Cel7A E212Q mutant in complex with pNPL | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ... | 著者 | Haataja, T, Sandgren, M, Stahlberg, J. | 登録日 | 2021-04-26 | 公開日 | 2022-03-09 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J., 290, 2023
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