5RVG
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 | | 分子名称: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, 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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2QJT
 | | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis | | 分子名称: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase | | 著者 | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | | 登録日 | 2007-07-09 | | 公開日 | 2008-03-04 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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4GAB
 | | Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat | | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ... | | 著者 | Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A. | | 登録日 | 2012-07-25 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5971 Å) | | 主引用文献 | X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
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4G9F
 | | Crystal Structure of C12C TCR-HLAB2705-KK10-L6M | | 分子名称: | Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen, ... | | 著者 | Gras, S, Wilmann, P.G, Rossjohn, J. | | 登録日 | 2012-07-23 | | 公開日 | 2013-03-20 | | 最終更新日 | 2020-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
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2QOL
 | | Human EphA3 kinase and juxtamembrane region, Y596:Y602:S768G triple mutant | | 分子名称: | Ephrin receptor | | 著者 | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-07-20 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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4GBX
 | | Crystal structure of an immune complex at pH 6.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DM alpha chain, ... | | 著者 | Sethi, D.K, Pos, W, Wucherpfennig, K.W. | | 登録日 | 2012-07-28 | | 公開日 | 2013-01-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structure of the HLA-DM-HLA-DR1 Complex Defines Mechanisms for Rapid Peptide Selection.
Cell(Cambridge,Mass.), 151, 2012
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2QQ8
 | | Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14 | | 分子名称: | TBC1 domain family member 14, UNKNOWN ATOM OR ION | | 著者 | Tong, Y, Tempel, W, Dimov, S, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2007-07-26 | | 公開日 | 2007-08-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the putative RabGAP domain of human TBC1 domain family member 14.
To be Published
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2QQG
 | | Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide | | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ... | | 著者 | Marmorstein, R, Sanders, B, Zhao, K, Slama, J. | | 登録日 | 2007-07-26 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
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2QQJ
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4FRY
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4GG5
 | | Crystal structure of CMET in complex with novel inhibitor | | 分子名称: | 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor | | 著者 | Liu, Q.F, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-08-05 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.423 Å) | | 主引用文献 | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5RSL
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 | | 分子名称: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine, 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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5RT1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 | | 分子名称: | 2,3-dihydro-1-benzofuran-5-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
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5RTI
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237 | | 分子名称: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic 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 (1.01 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
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5RTX
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873 | | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, 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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3ELC
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... | | 著者 | Hunter, W.N, Ramsden, N.L, Ulaganathan, V. | | 登録日 | 2008-09-22 | | 公開日 | 2009-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
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5RUD
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114 | | 分子名称: | 4-chloro-1,3-benzothiazol-2-amine, 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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5RUW
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941 | | 分子名称: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}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 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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2QVV
 | | Porcine Liver Fructose-1,6-bisphosphatase cocrystallized with Fru-2,6-P2 and Zn2+, I(T)-state | | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, PHOSPHATE ION, ... | | 著者 | Hines, J.K, Chen, X, Nix, J.C, Fromm, H.J, Honzatko, R.B. | | 登録日 | 2007-08-08 | | 公開日 | 2007-10-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structures of mammalian and bacterial fructose-1,6-bisphosphatase reveal the basis for synergism in AMP/fructose 2,6-bisphosphate inhibition
J.Biol.Chem., 282, 2007
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2QXF
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5RVC
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912 | | 分子名称: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-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
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5RVT
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 | | 分子名称: | 6-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3 | | 著者 | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-10-02 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.26 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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6TRC
 | | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Mielke, T, Lisdat, F, Zouni, A, Wendler, P. | | 登録日 | 2019-12-18 | | 公開日 | 2020-09-16 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Curr.Opin.Struct.Biol., 2, 2020
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4FWR
 | | Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with CMP | | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, Propionate kinase | | 著者 | Chittori, S, Savithri, H.S, Murthy, M.R.N. | | 登録日 | 2012-07-01 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
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4FW8
 | | Crystal structure of FABG4 complexed with Coenzyme NADH | | 分子名称: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-(Acyl-carrier-protein) reductase | | 著者 | Dutta, D, Bhattacharyya, S, Das, A.K. | | 登録日 | 2012-06-30 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
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