PDB: 12119 件ウェブページステータス検索Chemie searchBIRD

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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
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
5EW3	Human Vascular Endothelial Growth Factor Receptor 2 (KDR) Kinase Domain in complex with AAL993 分子名称: 2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Vascular endothelial growth factor receptor 2 著者 Stark, W, Goepfert, A. 登録日 2015-11-20 公開日 2015-12-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A Novel Potent Oral Series of VEGFR2 Inhibitors Abrogate Tumor Growth by Inhibiting Angiogenesis. J.Med.Chem., 59, 2016
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
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
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
5TSL	Molecular Dynamics Flexible Fitting Model of Coxsackievirus A16 empty Procapsid VP3 Subunit 分子名称: coxsackievirus A16 著者 Fan, C, Cong, Y, Ye, X, Huang, Z. 登録日 2016-10-29 公開日 2017-02-01 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (6.5 Å) 主引用文献 Structural alteration and surface modifi cation of coxsackievirus A16 capsids by beta-propiolactone treatment J.VIROL., 2017
5TSK	Molecular Dynamics Flexible Fitting Model of Coxsackievirus A16 empty Procapsid VP1 Subunit 分子名称: coxsackievirus A16 empty procapsid VP1 subunit 著者 Fan, C, Cong, Y, Ye, X, Huang, Z. 登録日 2016-10-29 公開日 2017-02-01 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (6.5 Å) 主引用文献 Structural alteration and surface modifi cation of coxsackievirus A16 capsids by beta-propiolactone treatment J.VIROL., 2017
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
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
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
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
5TQU	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 分子名称: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ... 著者 Barros-Alvarez, X, Hol, W.G.J. 登録日 2016-10-24 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis. ACS Infect Dis, 3, 2017
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
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
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
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
6V6T	Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata 分子名称: Delta-theraphotoxin-Hm1b 著者 Chin, Y.K.Y, Chow, C.Y, King, G.F. 登録日 2019-12-05 公開日 2020-05-13 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 A selective Na V 1.1 activator with potential for treatment of Dravet syndrome epilepsy. Biochem Pharmacol, 181, 2020
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
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
6W0X	Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile) 分子名称: 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-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 (2.38 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
7FB0	SARS-CoV-2 spike protein in closed state 分子名称: Spike glycoprotein 著者 Zhu, Y, Tai, L.H, Sun, F. 登録日 2021-07-08 公開日 2022-07-13 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Novel sites for Cathepsin L cleavage in SARS-CoV-2 spike guide treatment strategies To Be Published
7FB1	SARS-CoV-2 spike protein in one-RBD open state 分子名称: Spike glycoprotein 著者 Zhu, Y, Tai, L.H, Sun, F. 登録日 2021-07-08 公開日 2022-07-13 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Novel sites for Cathepsin L cleavage in SARS-CoV-2 spike guide treatment strategies To Be Published
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
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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