PDB: 217477 件ウェブページステータス検索Chemie searchBIRD

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5VIG	Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII 分子名称: CITRATE ANION, Fab heavy chain, Fab light chain, ... 著者 Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. 登録日 2017-04-16 公開日 2017-05-03 最終更新日 2017-05-17 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
4P46	J809.B5 Y31A TCR bound to IAb3K 分子名称: 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... 著者 Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J. 登録日 2014-03-11 公開日 2014-05-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.851 Å) 主引用文献 Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
7V0X	Local refinement of ankyrin-1 (C-terminal half), class 1 of erythrocyte ankyrin-1 complex 分子名称: Ankyrin-1 著者 Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. 登録日 2022-05-11 公開日 2022-07-20 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
1NEK	Complex II (Succinate Dehydrogenase) From E. Coli with ubiquinone bound 分子名称: CALCIUM ION, CARDIOLIPIN, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Yankovskaya, V, Horsefield, R, Tornroth, S, Luna-Chavez, C, Miyoshi, H, Leger, C, Byrne, B, Cecchini, G, Iwata, S. 登録日 2002-12-11 公開日 2003-02-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Architecture of succinate dehydrogenase and reactive oxygen species generation. Science, 299, 2003
1BC2	ZN-DEPENDENT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 分子名称: METALLO-BETA-LACTAMASE II, SULFATE ION, ZINC ION 著者 Fabiane, S.M, Sutton, B.J. 登録日 1997-04-11 公開日 1998-10-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme. Biochemistry, 37, 1998
1XSO	THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS RESOLUTION 分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION 著者 Djinovic Carugo, K, Coda, A, Battistoni, A, Carri, M.T, Polticelli, F, Desideri, A, Rotilio, G, Wilson, K.S, Bolognesi, M. 登録日 1995-03-14 公開日 1995-07-10 最終更新日 2019-08-14 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Three-dimensional structure of Xenopus laevis Cu,Zn superoxide dismutase b determined by X-ray crystallography at 1.5 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
1NEN	Complex II (Succinate Dehydrogenase) From E. Coli with Dinitrophenol-17 inhibitor co-crystallized at the ubiquinone binding site 分子名称: 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL, CALCIUM ION, CARDIOLIPIN, ... 著者 Yankovskaya, V, Horsefield, R, Tornroth, S, Luna-Chavez, C, Miyoshi, H, Leger, C, Byrne, B, Cecchini, G, Iwata, S. 登録日 2002-12-11 公開日 2003-02-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Architecture of succinate dehydrogenase and reactive oxygen species generation Science, 299, 2003
1UY2	Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry 分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ... 著者 Van Bueren, A.L, Boraston, A.B. 登録日 2004-03-01 公開日 2004-06-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites. J.Mol.Biol., 340, 2004
5FCZ	Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX) 分子名称: 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol, B-N-acetylhexosaminidase, CHLORIDE ION, ... 著者 Vadlamani, G, Mark, B.L. 登録日 2015-12-15 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases. Chem.Commun.(Camb.), 52, 2016
6O2M	CDTb Double Heptamer Long Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry 分子名称: ADP-ribosyltransferase binding component 著者 Lacy, D.B, Sheedlo, M.J, Anderson, D.M. 登録日 2019-02-24 公開日 2019-10-30 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (6.3 Å) 主引用文献 Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore. Nat Microbiol, 5, 2020
4F27	Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB 分子名称: Clumping factor B, MAGNESIUM ION, peptide from Fibrinogen alpha chain 著者 Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. 登録日 2012-05-07 公開日 2012-08-08 最終更新日 2015-02-04 実験手法 X-RAY DIFFRACTION (1.917 Å) 主引用文献 Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
1C11	INTERCALATED D(TCCCGTTTCCA) DIMER, NMR, 7 STRUCTURES 分子名称: DNA (5'-D(*TP*CP*CP*CP*GP*TP*TP*TP*CP*CP*A)-3') 著者 Gallego, J, Chou, S.H, Reid, B.R. 登録日 1998-07-15 公開日 1998-07-22 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Centromeric pyrimidine strands fold into an intercalated motif by forming a double hairpin with a novel T:G:G:T tetrad: solution structure of the d(TCCCGTTTCCA) dimer. J.Mol.Biol., 273, 1997
5SQS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001240411747 分子名称: (4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SQR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300016493575 - (R,S) isomer 分子名称: (2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SQU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335 分子名称: DIMETHYL SULFOXIDE, N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SR6	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3011799020 - (R) isomer 分子名称: (8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SR5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265454473 - (R) isomer 分子名称: (2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SR8	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914650235 - (S) isomer 分子名称: Non-structural protein 3, [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5372052920 - (R) isomer 分子名称: (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SR9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3562259556 - (R) isomer 分子名称: Non-structural protein 3, methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SON	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000920153280 - (R) isomer 分子名称: 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SP3	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000450476923 - (S,R) isomer 分子名称: Non-structural protein 3, [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
1DI0	CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM BRUCELLA ABORTUS 分子名称: LUMAZINE SYNTHASE, PHOSPHATE ION 著者 Braden, B.C, Velikovsky, C.A, Cauerhff, A.A, Polikarpov, I, Goldbaum, F.A. 登録日 1999-11-28 公開日 2000-04-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Divergence in macromolecular assembly: X-ray crystallographic structure analysis of lumazine synthase from Brucella abortus. J.Mol.Biol., 297, 2000
5SP1	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001472868186 分子名称: 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.03 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SOJ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000642067873 - (R) isomer 分子名称: Non-structural protein 3, [(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023

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