5NAT
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5NB6
| Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | 分子名称: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | 著者 | Mac Sweeney, A, Ostermann, N. | 登録日 | 2017-03-01 | 公開日 | 2017-06-28 | 最終更新日 | 2017-07-26 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
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3EDG
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3EDI
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3EDH
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6TA4
| Human kinesin-5 motor domain in the AMPPNP state bound to microtubules | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | 著者 | Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | 登録日 | 2019-10-29 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | 主引用文献 | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
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1Q0Q
| Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate | 分子名称: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | 登録日 | 2003-07-17 | 公開日 | 2004-07-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation. J.Mol.Biol., 345, 2005
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1Q0L
| Crystal structure of DXR in complex with fosmidomycin | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | 登録日 | 2003-07-16 | 公開日 | 2004-07-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation. J.Mol.Biol., 345, 2005
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1Q0H
| Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ... | 著者 | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | 登録日 | 2003-07-16 | 公開日 | 2004-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation. J.Mol.Biol., 345, 2005
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1PFQ
| crystal structure of human apo dipeptidyl peptidase IV / CD26 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV soluble form | 著者 | Oefner, C, D'Arcy, A, Mac Sweeney, A, Pierau, S, Gardiner, R, Dale, G.E. | 登録日 | 2003-05-27 | 公開日 | 2003-07-01 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution structure of human apo dipeptidyl peptidase IV/CD26 and its complex with 1-[([2-[(5-iodopyridin-2-yl)amino]-ethyl]amino)-acetyl]-2-cyano-(S)-pyrrolidine. Acta Crystallogr.,Sect.D, 59, 2003
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5MT4
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5MT0
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6G3R
| Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | 登録日 | 2018-03-26 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms. PLoS ONE, 13, 2018
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6G3S
| Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited. | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | 登録日 | 2018-03-26 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms. PLoS ONE, 13, 2018
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1DLK
| CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR | 分子名称: | CHLORIDE ION, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Mac Sweeney, A, Birrane, G, Walsh, M.A, O'Connell, T, Malthouse, J.P.G. | 登録日 | 1999-12-10 | 公開日 | 2000-05-03 | 最終更新日 | 2018-09-12 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Crystal structure of delta-chymotrypsin bound to a peptidyl chloromethyl ketone inhibitor. Acta Crystallogr.,Sect.D, 56, 2000
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7GS3
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 | 分子名称: | (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRZ
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS2
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 | 分子名称: | 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS6
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 | 分子名称: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS5
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 | 分子名称: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRG
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-3 | 分子名称: | 3,5-dichloropyridin-4-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRH
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-4 | 分子名称: | 3C-like proteinase nsp5, 5-chloropyridin-3-ol, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRP
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | 分子名称: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRT
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRR
| Crystal structure of SARS-CoV-2 main protease in complex with cpd-14 | 分子名称: | 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | 登録日 | 2023-11-14 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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