PDB: 222624 件ウェブページステータス検索Chemie searchBIRD

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5RT5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111 分子名称: 7-hydroxy-2H-chromen-2-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
5RTL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056 分子名称: 4-methylbenzenesulfonamide, 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
5RU2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715 分子名称: 2-phenoxyethanoic 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
5RUG	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389 分子名称: NAPHTHYLOXYACETIC 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
5RUT	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958 分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC 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
5RV8	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575 分子名称: 6-methylpyridine-3-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
5RT2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361 分子名称: 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)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
1QYL	GCATGCT + Vanadium 分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', VANADIUM ION 著者 Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A. 登録日 2003-09-11 公開日 2003-10-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT) To be Published
5RTW	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777 分子名称: (2-HYDROXYPHENYL)ACETIC 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
5RUC	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878 分子名称: NICOTINAMIDE, 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
5RUR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334 分子名称: 6-fluoro-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
5RV7	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002 分子名称: 1H-indazol-3-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
5RBX	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a 分子名称: 2-methyl-N-(4-methylphenyl)-L-alanine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCF	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H10b 分子名称: (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
292D	INTERACTION BETWEEN THE LEFT-HANDED Z-DNA AND POLYAMINE:THE CRYSTAL STRUCTURE OF THE D(CG)3 AND N-(2-AMINOETHYL)-1,4-DIAMINOBUTANE COMPLEX 分子名称: 1-(AMINOETHYL)AMINO-4-AMINOBUTANE, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... 著者 Ohishi, H, Kunisawa, S, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Tomita, K, Hakoshima, T. 登録日 1991-10-09 公開日 1996-12-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Interaction between the left-handed Z-DNA and polyamine. The crystal structure of the d(CG)3 and N-(2-aminoethyl)-1,4-diamino-butane complex. FEBS Lett., 284, 1991
2QSK	Atomic-resolution crystal structure of the Recombinant form of Scytovirin 分子名称: CHLORIDE ION, GLYCEROL, scytovirin 著者 Moulaei, T, Botos, I, Ziolkowska, N.E, Dauter, Z, Wlodawer, A. 登録日 2007-07-31 公開日 2007-11-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Atomic-resolution crystal structure of the antiviral lectin scytovirin. Protein Sci., 16, 2007
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
2ABB	Structure of PETN reductase Y186F in complex with cyanide 分子名称: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, THIOCYANATE ION, ... 著者 Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S. 登録日 2005-07-15 公開日 2005-10-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase Febs J., 272, 2005
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
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
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
3P8J	Y351S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule 分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase 著者 Toogood, H.S, Scrutton, N.S. 登録日 2010-10-14 公開日 2011-04-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Active site modifications in pentaerythritol tetranitrate reductase can lead to improved product enantiopurity, decreased by-product formation and altered stereochemical outcome in reactions with a,b-unsaturated nitroolefins Catalysis Science and Technology, 2011
3DJK	Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A 分子名称: (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... 著者 Wang, Y.F, Weber, I.T. 登録日 2008-06-23 公開日 2008-09-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies J.Med.Chem., 51, 2008
5RSU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055 分子名称: Non-structural protein 3, salicylamide 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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