PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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6AMQ	Crystal structure of the DNA polymerase III subunit beta from Enterobacter cloacae 分子名称: DNA polymerase III subunit beta, SULFATE ION 著者 McGrath, A.E, Oakley, A.J. 登録日 2017-08-11 公開日 2017-11-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens. J. Struct. Biol., 204, 2018
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
3S6L	Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei solved by iodide ion SAD phasing 分子名称: CHLORIDE ION, Hep_Hag family, IODIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-05-25 公開日 2011-06-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei To be Published
7T0F	Crystal structure of S25-39 Fab in complex with 4-MeO-KdoOAll 分子名称: 3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid, S25-39 Fab heavy chain, S25-39 Fab light chain 著者 Legg, M.S.G, Blackler, R.J, Evans, S.V. 登録日 2021-11-29 公開日 2022-04-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Antigen binding by conformational selection in near-germline antibodies. J.Biol.Chem., 298, 2022
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
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
7ST8	Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region 分子名称: 7H2.2 Fab Heavy Chain, 7H2.2 Fab Light Chain, Astacin-like metalloendopeptidase 著者 Legg, M.S.G, Evans, S.V. 登録日 2021-11-12 公開日 2022-05-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Monoclonal antibody 7H2.2 binds the C-terminus of the cancer-oocyte antigen SAS1B through the hydrophilic face of a conserved amphipathic helix corresponding to one of only two regions predicted to be ordered Acta Crystallogr.,Sect.D, 78, 2022
6B1V	Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose 分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... 著者 Hettle, A.G, Boraston, A.B. 登録日 2017-09-19 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme. Structure, 26, 2018
7SOH	Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox 分子名称: Chlorotoxin 著者 Gewe, M.M, Strong, R.K. 登録日 2021-10-30 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat Struct Mol Biol, 25, 2018
7SND	Pacifastin related protease inhibitors 分子名称: GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide 著者 Gewe, M.M, Strong, R.K. 登録日 2021-10-27 公開日 2022-08-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
7SNC	Pacifastin related protease inhibitors 分子名称: Protease inhibitor 著者 Gewe, M.M, Strong, R.K. 登録日 2021-10-27 公開日 2022-08-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
5JMG	X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking) 分子名称: CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... 著者 Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. 登録日 2016-04-29 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules. Dalton Trans, 45, 2016
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
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
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
5J16	Crystal structure of Inositol monophosphate bound SaIMPase-II 分子名称: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, Inositol monophosphatase family protein, ... 著者 Dutta, A, Bhattacharyya, S, Das, A.K. 登録日 2016-03-29 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of Inositol monophosphate bound SaIMPase-II To Be Published
7TOB	Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER 著者 Sacco, M.D, Wang, J, Chen, Y. 登録日 2022-01-24 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition. Cell Res., 32, 2022
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
3SZK	Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... 著者 Jacques, D.A, Kumar, K.K, Guss, J.M, Gell, D.A. 登録日 2011-07-19 公開日 2011-09-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Structural basis for hemoglobin capture by Staphylococcus aureus cell-surface protein, IsdH J.Biol.Chem., 286, 2011
5JQT	Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 分子名称: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... 著者 Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. 登録日 2016-05-05 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016

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