7W18
| Complex structure of alginate lyase PyAly with M5 | 分子名称: | Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | 著者 | Liu, W.Z, Lyu, Q.Q, Zhang, K.K. | 登録日 | 2021-11-19 | 公開日 | 2022-08-17 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7W12
| Complex structure of alginate lyase AlyB-OU02 with G9 | 分子名称: | Alginate lyase, SULFATE ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | 著者 | Liu, W.Z, Lyu, Q.Q, Zhang, K.K. | 登録日 | 2021-11-19 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7W16
| Complex structure of alginate lyase AlyV with M8 | 分子名称: | GLYCEROL, alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | 著者 | Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K. | 登録日 | 2021-11-19 | 公開日 | 2022-08-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7W13
| Complex structure of alginate lyase PyAly with M8 | 分子名称: | Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | 著者 | Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K. | 登録日 | 2021-11-19 | 公開日 | 2022-08-17 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7WYG
| Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid. | 分子名称: | Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Li, F, He, C, Wang, X. | 登録日 | 2022-02-16 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids. Angew.Chem.Int.Ed.Engl., 61, 2022
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6DQB
| LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | 分子名称: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ8
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ6
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6DQF
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6DQA
| Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | 分子名称: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.888 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQC
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6DQ7
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6DQ4
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | 分子名称: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.392 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ9
| Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | 分子名称: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQD
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6DQ5
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6DQE
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4XNW
| The human P2Y1 receptor in complex with MRS2500 | 分子名称: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | 著者 | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | 登録日 | 2015-01-16 | 公開日 | 2015-04-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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4XNV
| The human P2Y1 receptor in complex with BPTU | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ... | 著者 | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | 登録日 | 2015-01-16 | 公開日 | 2015-04-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Two disparate ligand-binding sites in the human P2Y1 receptor Nature, 520, 2015
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8XAI
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8YLC
| The crystal structure of PDE4D with Amentoflavone | 分子名称: | 3',5'-cyclic-AMP phosphodiesterase 4D, 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2024-03-06 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.30003715 Å) | 主引用文献 | Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects Chin.Chem.Lett., 2024
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7CMZ
| Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | 分子名称: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | 著者 | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | 登録日 | 2020-07-29 | 公開日 | 2021-03-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | 主引用文献 | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
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4R7H
| Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | 分子名称: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | 著者 | Zhang, Y, Zhang, K, Zhang, C. | 登録日 | 2014-08-27 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8001 Å) | 主引用文献 | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
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7KDT
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6BH1
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52) | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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