PDB: 97310 件ウェブページステータス検索Chemie searchBIRD

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8HGU	Epoxide hydrolase from Bosea sp. PAMC 26642 分子名称: Alpha/beta hydrolase 著者 Lee, M.J, Hwang, J, Do, H, Lee, J.H. 登録日 2022-11-15 公開日 2023-11-22 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Structural insights into the distinct substrate preferences of two bacterial epoxide hydrolases. Int.J.Biol.Macromol., 264, 2024
7SEA	Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak 分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
7SE7	Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine 分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
7SED	Crystal structure of human Fibrillarin in complex with compound 2a 分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
7SEC	Crystal structure of human Fibrillarin in complex with compound 1a 分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
7SEB	Crystal structure of human Fibrillarin in complex with compound 2 from single soak 分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
4B2C	Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... 著者 Menzel, A, Neumann, P, Stubbs, M.T. 登録日 2012-07-13 公開日 2012-08-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
3MCG	THREE-DIMENSIONAL STRUCTURE OF A LIGHT CHAIN DIMER CRYSTALLIZED IN WATER. CONFORMATIONAL FLEXIBILITY OF A MOLECULE IN TWO CRYSTAL FORMS 分子名称: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN) 著者 Ely, K.R, Herron, J.N, Edmundson, A.B. 登録日 1989-05-09 公開日 1990-10-15 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Three-dimensional structure of a light chain dimer crystallized in water. Conformational flexibility of a molecule in two crystal forms. J.Mol.Biol., 210, 1989
4BI1	Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. 登録日 2013-04-09 公開日 2013-05-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013
4B2A	Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... 著者 Menzel, A, Neumann, P, Stubbs, M.T. 登録日 2012-07-13 公開日 2012-08-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
7NHU	Crystal structure of desB30 insulin produced by cell free protein synthesis 分子名称: Insulin 著者 Johansson, E. 登録日 2021-02-11 公開日 2021-06-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Cell free protein synthesis versus yeast expression - A comparison using insulin as a model protein. Protein Expr.Purif., 186, 2021
4B9R	Crystal structure of the Major Birch Pollen Allergen Bet v 1.0101 (isoform a) nitrated in vitro with tetranitromethan. 分子名称: MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION 著者 Kofler, S, Ackaert, C, Brandstetter, H. 登録日 2012-09-06 公開日 2013-10-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 The Impact of Nitration on the Structure and Immunogenicity of the Major Birch Pollen Allergen Bet V 1.0101. Plos One, 9, 2014
7N7Z	Structure of Acetyl-CoA acetyltransferase from Syntrophomonas wolfei 分子名称: Acetyl-CoA C-acetyltransferase 著者 Arbing, M.A, Gunsalus, R.P. 登録日 2021-06-11 公開日 2021-06-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Dynamic acylome reveals metabolite driven modifications in Syntrophomonas wolfei. Front Microbiol, 13, 2022
4BER	Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein in complex with cytidine monophosphate 分子名称: CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... 著者 Campanacci, V, Mukherjee, S, Roy, C.R, Cherfils, J. 登録日 2013-03-12 公開日 2013-04-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of the Legionella Effector Ankx Reveals the Mechanism of Phosphocholine Transfer by the Fic Domain. Embo J., 32, 2013
2YWP	Crystal Structure of CHK1 with a Urea Inhibitor 分子名称: 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1 著者 Park, C. 登録日 2007-04-21 公開日 2007-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors Bioorg.Med.Chem.Lett., 16, 2006
4BFY	Crystal structure of Mycobacterium tuberculosis PanK in complex with a biaryl inhibitory compound (2a) and phosphate 分子名称: 2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid, PANTOTHENATE KINASE, PHOSPHATE ION 著者 Bjorkelid, C, Bergfors, T, Jones, T.A. 登録日 2013-03-22 公開日 2013-05-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
4BET	Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein (inactive H229A mutant) in complex with cytidine-diphosphate-choline 分子名称: GLYCEROL, PHOSPHOCHOLINE TRANSFERASE ANKX, SULFATE ION, ... 著者 Campanacci, V, Mukherjee, S, Roy, C.R, Cherfils, J. 登録日 2013-03-12 公開日 2013-04-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structure of the Legionella Effector Ankx Reveals the Mechanism of Phosphocholine Transfer by the Fic Domain. Embo J., 32, 2013
3MNR	Crystal Structure of Benzamide SNX-1321 bound to Hsp90 分子名称: 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha 著者 Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. 登録日 2010-04-22 公開日 2010-08-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90. Chem.Biol., 17, 2010
4BI2	Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor 分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... 著者 Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. 登録日 2013-04-09 公開日 2013-05-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013
4BFZ	Crystal structure of Mycobacterium tuberculosis PanK in complex with a biaryl inhibitory compound (2b) and phosphate 分子名称: 2-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE, PANTOTHENATE KINASE, PHOSPHATE ION 著者 Bjorkelid, C, Bergfors, T, Jones, T.A. 登録日 2013-03-22 公開日 2013-05-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
6QUM	Thermus thermophilus V/A-type ATPase/synthase, rotational state 1 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ... 著者 Zhou, L, Sazanov, L. 登録日 2019-02-27 公開日 2019-08-28 最終更新日 2020-09-30 実験手法 ELECTRON MICROSCOPY (3.25 Å) 主引用文献 Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase. Science, 365, 2019
2YDR	CpOGA D298N in complex with p53-derived O-GlcNAc peptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... 著者 Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. 登録日 2011-03-24 公開日 2012-03-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
7PJI	Crystal structure of Pseudomonas aeruginosa guaB (IMP dehydrogenase) bound to ATP and GDP at 1.65A resolution 分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Fernandez-Justel, D, Buey, R.M. 登録日 2021-08-24 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Diversity of mechanisms to control bacterial GTP homeostasis by the mutually exclusive binding of adenine and guanine nucleotides to IMP dehydrogenase. Protein Sci., 31, 2022
6URQ	Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen family member 4 (PAGE4) 分子名称: GLYCEROL, P antigen family member 4, Poly [ADP-ribose] polymerase tankyrase-1, ... 著者 Zheng, Y, Koirala, S, Miller, D, Potts, P.R. 登録日 2019-10-24 公開日 2020-07-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Tissue-Specific Regulation of the Wnt/ beta-Catenin Pathway by PAGE4 Inhibition of Tankyrase. Cell Rep, 32, 2020
6V1S	Structure of the Clostridioides difficile transferase toxin 分子名称: ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION 著者 Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B. 登録日 2019-11-21 公開日 2020-03-18 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme. Proc.Natl.Acad.Sci.USA, 117, 2020

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