PDB: 66724 件ウェブページステータス検索Chemie searchBIRD

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7NUG	Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin 分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ... 著者 Radilova, K, Brynda, J. 登録日 2021-03-12 公開日 2021-07-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors. Int J Mol Sci, 22, 2021
7NUH	Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Radilova, K, Brynda, J. 登録日 2021-03-12 公開日 2021-07-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors. Int J Mol Sci, 22, 2021
2JDL	Structure of C-terminal region of acidic P2 ribosomal protein complexed with trichosanthin 分子名称: ACIDIC RIBOSOMAL PROTEIN P2, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN 著者 Too, P.H, Mak, A.N, Zhu, G, Au, S.W, Wong, K.B, Shaw, P.C. 登録日 2007-01-11 公開日 2008-02-05 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The C-Terminal Fragment of the Ribosomal P Protein Complexed to Trichosanthin Reveals the Interaction between the Ribosome-Inactivating Protein and the Ribosome. Nucleic Acids Res., 37, 2009
3Q8V	Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with UDP 分子名称: MAGNESIUM ION, Nucleoside diphosphate kinase, URIDINE-5'-DIPHOSPHATE 著者 Srivastava, S.K, Rajasree, K, Gopal, B. 登録日 2011-01-07 公開日 2011-07-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Conformational basis for substrate recognition and regulation of catalytic activity in Staphylococcus aureus nucleoside di-phosphate kinase. Biochim.Biophys.Acta, 2011
7PK4	Tick salivary cystatin Ricistatin in complex with cathepsin V 分子名称: 1,2-ETHANEDIOL, Cathepsin L2, DI(HYDROXYETHYL)ETHER, ... 著者 Busa, M, Mares, M. 登録日 2021-08-25 公開日 2022-12-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Protease-bound structure of Ricistatin provides insights into the mechanism of action of tick salivary cystatins in the vertebrate host. Cell.Mol.Life Sci., 80, 2023
3T0M	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Thiel, P, Ottmann, C. 登録日 2011-07-20 公開日 2012-12-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
7QBN	Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... 著者 Benysek, J, Busa, M, Mares, M. 登録日 2021-11-19 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
7QBL	Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 分子名称: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate 著者 Benysek, J, Busa, M, Mares, M. 登録日 2021-11-19 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
6A2F	Crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa 分子名称: ACETATE ION, Alanine racemase, biosynthetic, ... 著者 Dong, H, Li, S. 登録日 2018-06-11 公開日 2018-08-08 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Enzymatic characterization and crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa PAO1. Biochem.Biophys.Res.Commun., 503, 2018
7O1E	Crystal structure of PCNA from Chaetomium thermophilum 分子名称: Proliferating cell nuclear antigen 著者 Alphey, M.A, MacNeill, S, Yang, D. 登録日 2021-03-29 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Non-canonical binding of the Chaetomium thermophilum PolD4 N-terminal PIP motif to PCNA involves Q-pocket and compact 2-fork plug interactions but no 3 10 helix. Febs J., 290, 2023
7O1F	PCNA from Chaetomium thermophilum in complex with PolD4 PIP peptide 分子名称: Peptide fragment from PolD4, Proliferating cell nuclear antigen, SODIUM ION 著者 Alphey, M.A, MacNeill, S, Yang, D. 登録日 2021-03-29 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Non-canonical binding of the Chaetomium thermophilum PolD4 N-terminal PIP motif to PCNA involves Q-pocket and compact 2-fork plug interactions but no 3 10 helix. Febs J., 290, 2023
7QGY	Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid 分子名称: 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-12-10 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
3S04	Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic 分子名称: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ... 著者 Paetzel, M, Luo, C. 登録日 2011-05-13 公開日 2011-10-05 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase. J.Am.Chem.Soc., 133, 2011
6A4N	HEWL crystals soaked in 2.5M GuHCl for 8 minutes 分子名称: CHLORIDE ION, GLYCEROL, GUANIDINE, ... 著者 Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. 登録日 2018-06-20 公開日 2019-03-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
6A8B	Ribokinase from Leishmania donovani with AMPPCP 分子名称: CHLORIDE ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... 著者 Gatreddi, S, Pillalamarri, V, Qureshi, I.A. 登録日 2018-07-06 公開日 2019-07-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Unraveling structural insights of ribokinase from Leishmania donovani. Int.J.Biol.Macromol., 136, 2019
7QPM	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-05 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
7QPV	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-05 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
7QPF	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-04 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
7QPQ	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-05 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
7QQ4	Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate 分子名称: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... 著者 Leonard, P.M, Langgard, M. 登録日 2022-01-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
3S99	Crystal structure of a basic membrane lipoprotein from brucella melitensis, iodide soak 分子名称: ADENINE, Basic membrane lipoprotein, IODIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-06-01 公開日 2011-06-22 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of a basic membrane lipoprotein from brucella melitensis, iodide soak To be Published
3SG9	Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Kanamycin A Complex 分子名称: APH(2'')-Id, CHLORIDE ION, KANAMYCIN A 著者 Shi, K, Houston, D.R, Berghuis, A.M. 登録日 2011-06-14 公開日 2011-06-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases. Biochemistry, 50, 2011
3TQJ	Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii 分子名称: FE (II) ION, Superoxide dismutase [Fe] 著者 Franklin, M.C, Cheung, J, Cassidy, M, Love, J. 登録日 2011-09-09 公開日 2011-09-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.004 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
3TPZ	2.1 Angstrom crystal structure of the L114P mutant of E. Coli KsgA 分子名称: CHLORIDE ION, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase A 著者 Scarsdale, J.N, Musayev, F.N, Rife, J.P. 登録日 2011-09-08 公開日 2012-02-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Control of Substrate Specificity by a Single Active Site Residue of the KsgA Methyltransferase. Biochemistry, 51, 2012
6C19	FGFR1 kinase complex with inhibitor SN36985 分子名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION 著者 Yosaatmadja, Y, Smaill, J.B, Squire, C.J. 登録日 2018-01-04 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Understanding the structural requirements for covalent inhibition of FGFR1-3 To Be Published

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