7EYO
 
 | | Crystal structure of leech hyaluronidase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hyaluronoglucuronidase | | 著者 | Huang, H, Hou, X.D, Rao, Y.J, Kang, Z. | | 登録日 | 2021-05-31 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure and cleavage pattern of a hyaluronate 3-glycanohydrolase in the glycoside hydrolase 79 family.
Carbohydr Polym, 277, 2022
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4E90
 | | Human phosphodiesterase 9 in complex with inhibitors | | 分子名称: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-03-20 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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7R75
 | | Structure of human SHP2 in complex with compound 16 | | 分子名称: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7D
 | | Structure of human SHP2 in complex with compound 22 | | 分子名称: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7L
 | | Structure of human SHP2 in complex with compound 30 | | 分子名称: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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7R7I
 | | Structure of human SHP2 in complex with compound 27 | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | | 著者 | Leonard, P.G, Cross, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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5TIJ
 | | Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer) | | 分子名称: | ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION | | 著者 | Leonard, P.G, Muller, F.L. | | 登録日 | 2016-10-03 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.634 Å) | | 主引用文献 | Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
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6WU8
 | | Structure of human SHP2 in complex with inhibitor IACS-13909 | | 分子名称: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Leonard, P.G, Joseph, S, Rodenberger, A. | | 登録日 | 2020-05-04 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
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5U7L
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | (3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J, Parris, K. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U7D
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J, Parris, K. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U7K
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | 3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Pandit, J, Parris, K. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U7I
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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5U7J
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J, Parris, K. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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3IG7
 | | Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 | | 分子名称: | Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide | | 著者 | Pandit, J. | | 登録日 | 2009-07-27 | | 公開日 | 2009-09-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
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3IGG
 | | Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2 | | 分子名称: | Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide | | 著者 | Pandit, J. | | 登録日 | 2009-07-27 | | 公開日 | 2009-09-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
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3QPP
 | | Structure of PDE10-inhibitor complex | | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Pandit, J, Marr, E.S. | | 登録日 | 2011-02-14 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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3QPO
 | | Structure of PDE10-inhibitor complex | | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Pandit, J, Marr, E.S. | | 登録日 | 2011-02-14 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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3QPN
 | | Structure of PDE10-inhibitor complex | | 分子名称: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Pandit, J, Marr, E.S. | | 登録日 | 2011-02-14 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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4G2L
 | | Human PDE9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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6WCZ
 | | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | | 分子名称: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | | 著者 | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | | 登録日 | 2020-03-31 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
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6M67
 | | The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation | | 分子名称: | Pannexin-1 | | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | 登録日 | 2020-03-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2020-05-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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6M68
 | | The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX | | 分子名称: | Pannexin-1 | | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | 登録日 | 2020-03-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2020-05-13 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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6M66
 | | The Cryo-EM Structure of Human Pannexin 1 | | 分子名称: | Pannexin-1 | | 著者 | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | 登録日 | 2020-03-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2020-05-13 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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