PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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7HED	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003670 分子名称: CHLORIDE ION, Non-structural protein 3, trifluoroacetic acid, ... 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HF0	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003661 分子名称: (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, Non-structural protein 3, trifluoroacetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HE2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003656 分子名称: DIMETHYL SULFOXIDE, Non-structural protein 3, [(2R,4R)-4-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
4HGS	Crystal structure of ck1gs with compound 13 分子名称: 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3 著者 Huang, X. 登録日 2012-10-08 公開日 2012-11-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of ck1gs with compound 13 Acs Med.Chem.Lett
5T98	Crystal structure of BuGH2Awt 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase 著者 Pluvinage, B, Boraston, A.B. 登録日 2016-09-09 公開日 2017-09-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
3TZS	Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea 分子名称: 1,2-ETHANEDIOL, 1-phenylurea, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2011-09-27 公開日 2011-10-12 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands To be published, 7
7HCS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000609 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ... 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HE7	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003662 分子名称: (2S)-3-cyclopropyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, Non-structural protein 3, ... 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
3ZP8	HIGH-RESOLUTION FULL-LENGTH HAMMERHEAD RIBOZYME 分子名称: HAMMERHEAD RIBOZYME, ENZYME STRAND, SUBSTRATE STRAND, ... 著者 Anderson, M, Schultz, E, Martick, M, Scott, W.G. 登録日 2013-02-26 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Active-Site Monovalent Cations Revealed in a 1.55 A Resolution Hammerhead Ribozyme Structure J.Mol.Biol., 425, 2013
7HFB	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004331 分子名称: (1r,4r)-4-methyl-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexan-1-ol, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HDS	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003641 分子名称: (2S)-3-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, Non-structural protein 3, ... 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
5TA1	Crystal structure of BuGH86wt 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2016-09-09 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
7HDG	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003722 分子名称: Non-structural protein 3, [(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HFD	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004127 分子名称: 2-[(1S,3aR,7aS)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-1H-isoindol-1-yl]propan-2-ol, 2-[(1S,3aS,7aR)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-1H-isoindol-1-yl]propan-2-ol, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
1H1N	Atomic resolution structure of the major endoglucanase from Thermoascus aurantiacus 分子名称: ENDO TYPE CELLULASE ENGI 著者 Van Petegem, F, Vandenberghe, I, Bhat, M.K, Van Beeumen, J. 登録日 2002-07-19 公開日 2002-08-12 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Atomic Resolution Structure of the Major Endoglucanase from Thermoascus Aurantiacus Biochem.Biophys.Res.Commun., 296, 2002
7HEN	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003685 分子名称: CHLORIDE ION, Non-structural protein 3, [(2S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HES	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003692 分子名称: Non-structural protein 3, trifluoroacetic acid, {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentyl}methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
8DLJ	Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... 著者 Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-07-08 公開日 2022-08-31 最終更新日 2024-10-30 実験手法 ELECTRON MICROSCOPY (2.91 Å) 主引用文献 SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
5D5C	In meso in situ serial X-ray crystallography structure of lysozyme at 100 K 分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... 著者 Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. 登録日 2015-08-10 公開日 2016-01-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
7HFR	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005997 分子名称: (3aS,6S,6aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-6-ol, DIMETHYL SULFOXIDE, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HDM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003732 分子名称: (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline, Non-structural protein 3, trifluoroacetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
5QAS	OXA-48 IN COMPLEX WITH COMPOUND 23b 分子名称: 1,2-ETHANEDIOL, 3-[4-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase 著者 Lund, B.A, Leiros, H.K.S. 登録日 2017-07-11 公開日 2018-01-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
7HE5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003659 分子名称: (2R)-2-(furan-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol, CHLORIDE ION, Non-structural protein 3, ... 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HFC	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004126 分子名称: 2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, 2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025
7HFQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005994 分子名称: Non-structural protein 3, [(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2024-08-15 公開日 2025-06-11 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025

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