1MSP
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4YPQ
| Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid | 分子名称: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | 著者 | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | 登録日 | 2015-03-13 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
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4DXD
| Staphylococcal Aureus FtsZ in complex with 723 | 分子名称: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | 著者 | Lu, J, Soisson, S.M. | 登録日 | 2012-02-27 | 公開日 | 2012-05-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics. Sci Transl Med, 4, 2012
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6B97
| Crystal structure of PDE2 in complex with complex 9 | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Lu, J. | 登録日 | 2017-10-10 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B98
| PDE2 in complex with compound 1 | 分子名称: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Lu, J. | 登録日 | 2017-10-10 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B96
| Crystal Structure of PDE2 in complex with compound 16 | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Lu, J. | 登録日 | 2017-10-10 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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1SD0
| Structure of arginine kinase C271A mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | 著者 | Gattis, J.L, Ruben, E, Fenley, M.O, Ellington, W.R, Chapman, M.S. | 登録日 | 2004-02-12 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The active site cysteine of arginine kinase: structural and functional analysis of partially active mutants Biochemistry, 43, 2004
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6U3X
| PCSK9 in complex with compound 2 | 分子名称: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-22 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U26
| PCSK9 in complex with compound 16 | 分子名称: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Orth, P. | 登録日 | 2019-08-19 | 公開日 | 2019-11-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2P
| PCSK9 in complex with compound 5 | 分子名称: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-20 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U38
| PCSK9 in complex with a Fab and compound 8 | 分子名称: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-21 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2N
| PCSK9 in complex with compound 4 | 分子名称: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-20 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U36
| PCSK9 in complex with a Fab and compound 14 | 分子名称: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Lu, J, Soisson, S. | 登録日 | 2019-08-21 | 公開日 | 2019-11-06 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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1QH4
| CRYSTAL STRUCTURE OF CHICKEN BRAIN-TYPE CREATINE KINASE AT 1.41 ANGSTROM RESOLUTION | 分子名称: | ACETATE ION, CALCIUM ION, CREATINE KINASE | 著者 | Eder, M, Schlattner, U, Becker, A, Wallimann, T, Kabsch, W, Fritz-Wolf, K. | 登録日 | 1999-05-11 | 公開日 | 1999-11-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Crystal structure of brain-type creatine kinase at 1.41 A resolution. Protein Sci., 8, 1999
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