PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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5RSY	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230 分子名称: 2-hydroxy-5-(methylsulfanyl)benzoic acid, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
2REG	ABC-transporter choline binding protein in complex with choline 分子名称: CHOLINE ION, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN 著者 Oswald, C, Schimtt, L, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Bremer, E. 登録日 2007-09-26 公開日 2008-09-16 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states. J.Biol.Chem., 283, 2008
5RTF	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514 分子名称: ISATIN, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
2RD2	Glutaminyl-tRNA synthetase mutant C229R with bound analog 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE 分子名称: 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, Glutamine tRNA, Glutaminyl-tRNA synthetase, ... 著者 Bullock, T.L, Perona, J.J. 登録日 2007-09-20 公開日 2008-01-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A rationally engineered misacylating aminoacyl-tRNA synthetase. Proc.Natl.Acad.Sci.Usa, 105, 2008
5RTU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056 分子名称: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
4GF5	Crystal Structure of Calicheamicin Methyltransferase, CalS11 分子名称: CalS11, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION 著者 Helmich, K.E, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Center for Eukaryotic Structural Genomics (CESG) 登録日 2012-08-02 公開日 2012-08-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 to be published
5RUA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325 分子名称: (3,5-dichlorophenyl)acetic acid, DIMETHYL SULFOXIDE, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
3ESF	Crystal Structure of the enzyme Fe-superoxide dismutase TbSODB2 from Trypanosoma brucei 分子名称: FE (III) ION, Iron-containing superoxide dismutase B2 著者 Bachega, J.F.R, Navarro, M.V.A.S, Garratt, R.C. 登録日 2008-10-05 公開日 2009-05-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity Proteins, 77, 2009
5RUQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226 分子名称: 1H-indole-4-carboxamide, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RV4	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224 分子名称: Non-structural protein 3, quinolin-3-amine 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
2RG4	Crystal structure of the uncharacterized protein Q2CBJ1_9RHOB from Oceanicola granulosus HTCC2516 分子名称: FE (III) ION, Uncharacterized protein 著者 Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2007-10-02 公開日 2007-10-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of the uncharacterized protein Q2CBJ1_9RHOB from Oceanicola granulosus HTCC2516. To be Published
4G88	Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii 分子名称: 2,6-DIAMINOPIMELIC ACID, Outer membrane protein Omp38, S,R MESO-TARTARIC ACID 著者 Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y. 登録日 2012-07-22 公開日 2013-07-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA to be published
4G8J	X-ray Structure of Uridine Phosphorylease from Vibrio cholerae Complexed with Thymidine at 2.12 A Resolution 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... 著者 Lashkov, A.A, Gabdoulkhakov, A.G, Prokofev, I.I, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M. 登録日 2012-07-23 公開日 2013-07-24 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.119 Å) 主引用文献 X-ray structure of uridine phosphorylease from Vibrio cholerae complexed with thymidine To be Published
2RHH	Synthetic Gene Encoded Bacillus Subtilis FtsZ with Bound Sulfate Ion 分子名称: Cell Division Protein ftsZ, SULFATE ION 著者 Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) 登録日 2007-10-09 公開日 2008-10-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer. BMC Biotechnol., 9, 2009
2RJ0	B-specific alpha-1,3-galactosyltransferase G176R mutant + UDP+ Mn2+ 分子名称: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... 著者 Evans, S.V, Alfaro, J.A. 登録日 2007-10-14 公開日 2008-02-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes. J.Biol.Chem., 283, 2008
3EHF	Crystal structure of DesKC in complex with AMP-PCP 分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein) 著者 Albanesi, D, Alzari, P.M, Buschiazzo, A. 登録日 2008-09-12 公開日 2009-09-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
5ROP	PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature 分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, Proteinase K, SULFATE ION 著者 Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. 登録日 2020-09-23 公開日 2021-05-26 最終更新日 2021-06-23 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
4GI7	Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue 分子名称: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... 著者 Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) 登録日 2012-08-08 公開日 2013-04-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
4GKZ	HA1.7, a MHC class II restricted TCR specific for haemagglutinin 分子名称: 1,2-ETHANEDIOL, Alpha chain of Class II TCR, Beta Chain of Class II TCR, ... 著者 Holland, C.J, Rizkallah, P.J, Cole, D.K, Sewell, A.K, Godkin, A.J. 登録日 2012-08-13 公開日 2012-11-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Minimal conformational plasticity enables TCR cross-reactivity to different MHC class II heterodimers. Sci Rep, 2, 2012
5RS7	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676 分子名称: 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RSS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828 分子名称: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
4GMZ	Structure of rat cytosolic PEPCK Ld_2g in complex with Beta-Sulfopyruvate and GTP 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... 著者 Johnson, T.A, Holyoak, T. 登録日 2012-08-16 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function. Biochemistry, 51, 2012
5RT9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280 分子名称: 2-hydroxy-5-methylbenzoic acid, DIMETHYL SULFOXIDE, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
4G61	Crystal structure of IMPase/NADP phosphatase complexed with Mg2+ and phosphate 分子名称: 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... 著者 Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. 登録日 2012-07-18 公開日 2013-07-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
5RTP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336 分子名称: 2-oxidanylidene-2-phenylazanyl-ethanoic acid, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

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