4Q40
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![BU of 4q40 by Molmil](/molmil-images/mine/4q40) | Crystal structure of Schistosoma mansoni arginase in complex with L-valine | 分子名称: | Arginase, GLYCEROL, IMIDAZOLE, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.831 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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5TZH
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![BU of 5tzh by Molmil](/molmil-images/mine/5tzh) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-21 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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5EW3
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5TZW
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![BU of 5tzw by Molmil](/molmil-images/mine/5tzw) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-22 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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4Q3P
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![BU of 4q3p by Molmil](/molmil-images/mine/4q3p) | Crystal structure of Schistosoma mansoni arginase | 分子名称: | Arginase, GLYCEROL, MANGANESE (II) ION | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3V
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![BU of 4q3v by Molmil](/molmil-images/mine/4q3v) | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor BEC | 分子名称: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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5TSL
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5TSK
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![BU of 5tsk by Molmil](/molmil-images/mine/5tsk) | |
5FEQ
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![BU of 5feq by Molmil](/molmil-images/mine/5feq) | EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | 分子名称: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-17 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5TZZ
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![BU of 5tzz by Molmil](/molmil-images/mine/5tzz) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-22 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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4Q41
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![BU of 4q41 by Molmil](/molmil-images/mine/4q41) | Crystal structure of Schistosoma mansoni arginase in complex with L-lysine | 分子名称: | Arginase, GLYCEROL, LYSINE, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3Q
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![BU of 4q3q by Molmil](/molmil-images/mine/4q3q) | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABH | 分子名称: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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5TQU
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6VHG
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![BU of 6vhg by Molmil](/molmil-images/mine/6vhg) | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | 分子名称: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2020-01-09 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma. Acs Med.Chem.Lett., 11, 2020
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4Q42
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![BU of 4q42 by Molmil](/molmil-images/mine/4q42) | Crystal structure of Schistosoma mansoni arginase in complex with L-ornithine | 分子名称: | Arginase, GLYCEROL, L-ornithine, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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4Q3T
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![BU of 4q3t by Molmil](/molmil-images/mine/4q3t) | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor NOHA | 分子名称: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | 登録日 | 2014-04-12 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.142 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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2WBB
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![BU of 2wbb by Molmil](/molmil-images/mine/2wbb) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE | 著者 | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | 登録日 | 2009-02-26 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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6V6T
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7F0I
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![BU of 7f0i by Molmil](/molmil-images/mine/7f0i) | phosphodiesterase-9A in complex with inhibitor 4b | 分子名称: | 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Wu, Y, Huang, Y.Y, Luo, H.B. | 登録日 | 2021-06-04 | 公開日 | 2022-04-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.70000887 Å) | 主引用文献 | Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis J.Med.Chem., 64, 2021
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5TZA
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![BU of 5tza by Molmil](/molmil-images/mine/5tza) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine | 分子名称: | MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-21 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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6W0X
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7FB0
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7FB1
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5TX5
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![BU of 5tx5 by Molmil](/molmil-images/mine/5tx5) | Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | 分子名称: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Campobasso, N, Ward, P, Thrope, J. | 登録日 | 2016-11-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J. Med. Chem., 60, 2017
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6W0W
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![BU of 6w0w by Molmil](/molmil-images/mine/6w0w) | Structure of KHK in complex with compound 3 | 分子名称: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | 著者 | Jasti, J. | 登録日 | 2020-03-03 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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