PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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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
5RUK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692 分子名称: 2-(1,2-benzoxazol-3-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 (1.05 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
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
5RVJ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349 分子名称: 6-amino-2H-chromen-2-one, 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 (1.2 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
5RSG	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672 分子名称: N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine, 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
5RSV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465 分子名称: 4-[(METHYLSULFONYL)AMINO]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 (1.03 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
5RSH	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208 分子名称: 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine, 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
5RSW	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835 分子名称: 2,3-dihydro-1H-indene-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
5RTA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540 分子名称: 1,3-benzodioxole-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
5RTQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078 分子名称: 5-bromo-6-methylpyridin-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
5RU5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711 分子名称: 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-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
5RUL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774 分子名称: 4,6-dimethylpyrimidin-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
5RUZ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960 分子名称: 4-(1H-pyrazol-3-yl)piperidine, 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
5RVD	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802 分子名称: 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, 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
5RVU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130 分子名称: 6-phenylpyridine-3-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 (1.2 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
4LZ7	Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators 分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide, ... 著者 Pandit, J. 登録日 2013-07-31 公開日 2013-12-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators. J.Med.Chem., 56, 2013
4NS2	Crystal structure of Horse heart ferric myoglobin; D44K/D60K/E85K mutant 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Span, I, Rosenzweig, A.C. 登録日 2013-11-27 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer. J.Am.Chem.Soc., 138, 2016
5DA6	Atomic resolution crystal structure of double-stranded RNA 32 base pairs long determined from random starting phases angles in the presence of pseudo translational symmetry using the direct methods program SIR2014. 分子名称: POTASSIUM ION, RNA (32-MER) 著者 Mooers, B.H.M. 登録日 2015-08-19 公開日 2016-04-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Direct-methods structure determination of a trypanosome RNA-editing substrate fragment with translational pseudosymmetry. Acta Crystallogr D Struct Biol, 72, 2016
5R8H	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5C91	NEDD4 HECT with covalently bound indole-based inhibitor 分子名称: E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate 著者 Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. 登録日 2015-06-26 公開日 2015-09-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J. Am. Chem. Soc., 137, 2015
5DU3	Active form of human C1-inhibitor 分子名称: Plasma protease C1 inhibitor 著者 Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A. 登録日 2015-09-18 公開日 2016-08-31 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation. Structure, 24, 2016
2O8H	Crystal structure of the catalytic domain of rat phosphodiesterase 10A 分子名称: 6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL}QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... 著者 Pandit, J, Marr, E.S. 登録日 2006-12-12 公開日 2007-01-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
5R8L	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
2OVY	Crystal structure of the catalytic domain of rat phosphodiesterase 10A 分子名称: 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... 著者 Pandit, J, Marr, E.S. 登録日 2007-02-15 公開日 2007-03-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
4AT6	Fab fragment of antiporphyrin antibody 14H7 分子名称: FAB 14H7 HEAVY CHAIN, FAB 14H7 LIGHT CHAIN 著者 Golinelli-Pimpaneau, B, Mahy, J.P. 登録日 2012-05-04 公開日 2012-10-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.549 Å) 主引用文献 Crystal Structure of Two Anti-Porphyrin Antibodies with Peroxidase Activity. Plos One, 7, 2012

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