PDB: 605 件ウェブページステータス検索Chemie searchBIRD

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8TV6	SARS-CoV-2 Mac1 in complex with MDOLL-0169 分子名称: (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Wazir, S, Maksimainen, M, Lehtio, L. 登録日 2023-08-17 公開日 2024-04-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 2024
8AZL	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-2'-fluoro-ADPR 分子名称: 2'-deoxyadenosine 5'-fluoro-diphosphoribose, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-2'-fluoro-ADPR To Be Published
8AZN	Structure of SARS-CoV-2 NSP3 macrodomain in complex with alpha-1-O-Me-ADPR 分子名称: Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in complex with alpha-1-O-Me-ADPR To Be Published
8AZI	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-ADPR 分子名称: 2'-deoxyadenosine 5'-diphosphoribose, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
8AZM	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 8Br-ADPR 分子名称: 8-bromoadenosine 5'-diphosphoribose, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in complex with 8Br-ADPR To Be Published
8AZP	Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-methyl-ADP 分子名称: Papain-like protease nsp3, beta-methyl-adenosine diphosphate 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-methyl-ADP To Be Published
8AZO	Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-ethyl-ADP 分子名称: Papain-like protease nsp3, beta-ethyl-adenosine diphosphate 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-ethyl-ADP To Be Published
8CB3	SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid 分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 著者 Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) 登録日 2023-01-25 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.572 Å) 主引用文献 SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid To Be Published
8P0C	Rubella virus p150 macro domain (apo) 分子名称: Non-structural polyprotein p200 著者 Stoll, G.A, Modis, Y. 登録日 2023-05-10 公開日 2024-01-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Crystal structure and biochemical activity of the macrodomain from rubella virus p150. J.Virol., 98, 2024
8P0E	Rubella virus p150 macro domain in complex with ADP-ribose 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200 著者 Stoll, G.A, Modis, Y. 登録日 2023-05-10 公開日 2024-01-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Crystal structure and biochemical activity of the macrodomain from rubella virus p150. J.Virol., 98, 2024
8AZC	Structure of SARS-CoV-2 NSP3 macrodomain in the apo form 分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-05 公開日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
8AZD	Structure of SARS-CoV-2 NSP3 macrodomain in complex with ADPR 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Papain-like protease nsp3 著者 Sander, S, Tidow, H, Fliegert, R, Sandmann, M. 登録日 2022-09-05 公開日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
8GIA	Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr 分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate 著者 Wallace, S.D, Bagde, S.R, Fromme, J.C. 登録日 2023-03-13 公開日 2023-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain. Acs Chem.Biol., 18, 2023
8C1A	SARS-CoV-2 NSP3 macrodomain in complex with aztreonam 分子名称: 1,2-ETHANEDIOL, Replicase polyprotein 1ab, aztreonam 著者 Schuller, M, Ahel, I. 登録日 2022-12-20 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors. Pathogens, 12, 2023
8C19	SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine 分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone 著者 Schuller, M, Ahel, I. 登録日 2022-12-20 公開日 2023-03-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors. Pathogens, 12, 2023
7WR6	Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521 分子名称: ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate 著者 Hou, Y.J, Zeng, H, Shao, F, Ding, J. 登録日 2022-01-26 公開日 2023-01-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis. Nat.Struct.Mol.Biol., 30, 2023
8ERS	PanDDA analysis -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398507 - (R,S) isomer 分子名称: (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-12 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR6	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894 分子名称: (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR5	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003 分子名称: 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564 分子名称: 6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR7	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694 分子名称: 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer 分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR0	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452 分子名称: 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR8	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer 分子名称: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR1	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928 分子名称: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

 

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