4BZ6
| |
4BZ7
| Crystal structure of Schistosoma mansoni HDAC8 complexed with M344 | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ... | 著者 | Marek, M, Romier, C. | 登録日 | 2013-07-24 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
|
|
4BZ9
| |
4BZ5
| Crystal structure of Schistosoma mansoni HDAC8 | 分子名称: | HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ... | 著者 | Marek, M, Romier, C. | 登録日 | 2013-07-24 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
|
|
5T1T
| Irak4 kinase - compound 1 co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5T1S
| Irak4 kinase - compound 1 co-structure | 分子名称: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
|
|
4CQF
| |
7K9Z
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ... | 著者 | Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P. | 登録日 | 2020-09-29 | 公開日 | 2020-10-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers. Nat Commun, 12, 2021
|
|
4HGE
| JAK2 kinase (JH1 domain) in complex with compound 8 | 分子名称: | N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-10-08 | 公開日 | 2012-10-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J.Med.Chem., 55, 2012
|
|
4CXM
| Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE | 著者 | Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L. | 登録日 | 2014-04-07 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
|
|
7L0K
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | 分子名称: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-11 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KZY
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KYK
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KZ4
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KYY
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7L01
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-10 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KYV
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide) | 分子名称: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Deng, X, Phillips, M, Tomchick, D. | 登録日 | 2020-12-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
1U7M
| Solution structure of a diiron protein model: Due Ferri(II) turn mutant | 分子名称: | Four-helix bundle model, ZINC ION | 著者 | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | 登録日 | 2004-08-04 | 公開日 | 2005-03-01 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
|
|
4P2R
| Crystal structure of the 5cc7 TCR in complex with 5c1/I-Ek | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c1 peptide, 5cc7 T-cell receptor alpha chain, ... | 著者 | Birnbaum, M.E, Ozkan, E, Garcia, K.C. | 登録日 | 2014-03-04 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.295 Å) | 主引用文献 | Deconstructing the Peptide-MHC Specificity of T Cell Recognition. Cell, 157, 2014
|
|
6HGU
| Crystal Structure of an anti-APP-tag Fab | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ... | 著者 | Rondeau, J.M, Goepfert, A. | 登録日 | 2018-08-23 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling. Immunity, 52, 2020
|
|
5F0V
| X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | 分子名称: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase | 著者 | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2015-11-28 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
|
|
5F38
| X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | 分子名称: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase, COENZYME A, ... | 著者 | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2015-12-02 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
|
|
5SYV
| |
5SYW
| |
5SYU
| |