5DGI
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 3,5-(PCP)2-IP4 | 分子名称: | 1,2-ETHANEDIOL, 3,5-di-methylenebisphosphonate inositol tetrakisphosphate, ACETATE ION, ... | 著者 | Wang, H, Shears, S.B. | 登録日 | 2015-08-27 | 公開日 | 2016-08-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues. Chemistry, 22, 2016
|
|
4IQ8
| Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase 3 | 著者 | Wang, H, Liu, Q, Niu, L, Teng, M, Li, X. | 登録日 | 2013-01-11 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Preliminary crystallographic analysis of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae. Acta Crystallogr.,Sect.F, 68, 2012
|
|
5DGH
| |
4QBS
| |
4QBR
| |
6AQ4
| CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA | 分子名称: | CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | 登録日 | 2017-08-18 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.825 Å) | 主引用文献 | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6AS5
| CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | 分子名称: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | 登録日 | 2017-08-23 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.035 Å) | 主引用文献 | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
4HN2
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and a substrate analog 5PA-IP5 | 分子名称: | (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | 著者 | Wang, H. | 登録日 | 2012-10-18 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP(5) kinase. Chem.Commun.(Camb.), 48, 2012
|
|
6ARB
| CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A | 分子名称: | COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | 登録日 | 2017-08-22 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.717 Å) | 主引用文献 | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5B6O
| Crystal structure of MS8104 | 分子名称: | 3C-like proteinase | 著者 | Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2016-05-31 | 公開日 | 2016-06-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5BYB
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PA)2-IP4 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, H, Shears, S.B. | 登録日 | 2015-06-10 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthetic tools for studying the chemical biology of InsP8. Chem.Commun.(Camb.), 51, 2015
|
|
5BYA
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PCP)2-IP4 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, H, Shears, S.B. | 登録日 | 2015-06-10 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthetic tools for studying the chemical biology of InsP8. Chem.Commun.(Camb.), 51, 2015
|
|
6LZH
| Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18 | 分子名称: | GrgF, SODIUM ION | 著者 | Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M. | 登録日 | 2020-02-19 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A. J.Am.Chem.Soc., 142, 2020
|
|
7F3B
| cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | 登録日 | 2021-06-16 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
|
|
8H3G
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
|
|
8H3L
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
|
|
8H3K
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | 分子名称: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
|
|
5WH5
| |
4Q4D
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8) | 分子名称: | (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | 著者 | Wang, H, Shears, S.B. | 登録日 | 2014-04-14 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4Q4C
| Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8) | 分子名称: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ... | 著者 | Wang, H, Shears, S.B. | 登録日 | 2014-04-14 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
7YRN
| |
6M8B
| |
6M88
| Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin | 分子名称: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | 著者 | Wang, H, Shears, S.B. | 登録日 | 2018-08-21 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J. Med. Chem., 62, 2019
|
|
6M89
| Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | 著者 | Wang, H, Shears, S.B. | 登録日 | 2018-08-21 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis. J. Med. Chem., 62, 2019
|
|
6M8D
| |