5RUO
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100 | | 分子名称: | 4-chloro-1H-indole-2-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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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | 分子名称: | cystine knot (fluoropropylated) | | 著者 | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | 登録日 | 2018-02-09 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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5RS9
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250 | | 分子名称: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-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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3GHR
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage | | 分子名称: | Aldose reductase, CITRIC ACID, IDD594, ... | | 著者 | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | 登録日 | 2009-03-04 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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5RTJ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752 | | 分子名称: | Non-structural protein 3, P-HYDROXYBENZOIC ACID | | 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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4N1I
 | | Crystal Structure of the alpha-L-arabinofuranosidase UmAbf62A from Ustilago maidys | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Siguier, B, Dumon, C, Mourey, L, Tranier, S. | | 登録日 | 2013-10-04 | | 公開日 | 2014-01-15 | | 最終更新日 | 2014-03-12 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | First Structural Insights into alpha-L-Arabinofuranosidases from the Two GH62 Glycoside Hydrolase Subfamilies.
J.Biol.Chem., 289, 2014
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5RTY
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088 | | 分子名称: | 4-HYDROXYBENZAMIDE, 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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5RVA
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276 | | 分子名称: | 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-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
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3BOI
 | | Snow Flea Antifreeze Protein Racemate | | 分子名称: | 6.5 kDa glycine-rich antifreeze protein | | 著者 | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | | 登録日 | 2007-12-17 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
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6Q5O
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL | | 分子名称: | CC-Hex*-LL | | 著者 | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | | 登録日 | 2018-12-09 | | 公開日 | 2019-05-22 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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5RD1
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 23 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | 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
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5RTR
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763 | | 分子名称: | Non-structural protein 3, SALICYLHYDROXAMIC ACID | | 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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5RDI
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 40 | | 分子名称: | Endothiapepsin | | 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
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7FW9
 | | Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid | | 分子名称: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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5RU4
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638 | | 分子名称: | 2-methyl-1,3-thiazole-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 | 2023-11-15 | | 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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5RV1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609 | | 分子名称: | Non-structural protein 3, trifluoroacetic acid | | 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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1PQ8
 | | Trypsin at pH 4 at atomic resolution | | 分子名称: | CITRIC ACID, GLY-GLY-ARG PEPTIDE, LYSINE, ... | | 著者 | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | | 登録日 | 2003-06-18 | | 公開日 | 2003-11-11 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
J.Biol.Chem., 278, 2003
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3L8W
 | | Urate oxidase from aspergillus flavus complexed with xanthin | | 分子名称: | SODIUM ION, Uricase, XANTHINE, ... | | 著者 | Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M. | | 登録日 | 2010-01-04 | | 公開日 | 2010-06-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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5JIG
 | | Crytsal structure of Wss1 from S. pombe | | 分子名称: | NICKEL (II) ION, OXYGEN MOLECULE, Ubiquitin and WLM domain-containing metalloprotease SPCC1442.07c | | 著者 | Groll, M, Stingele, J, Boulton, S. | | 登録日 | 2016-04-22 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Mechanism and Regulation of DNA-Protein Crosslink Repair by the DNA-Dependent Metalloprotease SPRTN.
Mol.Cell, 64, 2016
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2CE2
 | | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GDP | | 分子名称: | GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Klink, B.U, Goody, R.S, Scheidig, A.J. | | 登録日 | 2006-02-02 | | 公開日 | 2006-08-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction
Biophys.J., 91, 2006
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5WKB
 | | MicroED structure of the segment, NFGEFS, from the A315E familial variant of the low complexity domain of TDP-43, residues 312-317 | | 分子名称: | TAR DNA-binding protein 43 | | 著者 | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | 登録日 | 2017-07-24 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1 Å) | | 主引用文献 | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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3C1P
 | | Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA | | 分子名称: | Peptide Nucleic Acid DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS | | 著者 | Cuesta-Seijo, J.A, Sheldrick, G.M, Zhang, J, Diederichsen, U. | | 登録日 | 2008-01-23 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid.
Acta Crystallogr.,Sect.D, 68, 2012
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4K8Y
 | | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | | 分子名称: | Kallikrein-4, Trypsin inhibitor 1 | | 著者 | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | 登録日 | 2013-04-19 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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5OBK
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F. | | 登録日 | 2017-06-28 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.
J. Med. Chem., 61, 2018
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2CHH
 | | RALSTONIA SOLANACEARUM HIGH-AFFINITY MANNOSE-BINDING LECTIN | | 分子名称: | CALCIUM ION, PROTEIN RSC3288, UNKNOWN ATOM OR ION, ... | | 著者 | Mitchell, E.P, Wimmerova, M, Imberty, A. | | 登録日 | 2006-03-15 | | 公開日 | 2006-03-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | A new Ralstonia solanacearum high-affinity mannose-binding lectin RS-IIL structurally resembling the Pseudomonas aeruginosa fucose-specific lectin PA-IIL.
Mol. Microbiol., 52, 2004
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