4S0I
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![BU of 4s0i by Molmil](/molmil-images/mine/4s0i) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant | 分子名称: | Threonine--tRNA ligase | 著者 | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | 登録日 | 2014-12-31 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
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7RB2
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![BU of 7rb2 by Molmil](/molmil-images/mine/7rb2) | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU in BIS-Tris pH 6.0 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-07-05 | 公開日 | 2021-07-14 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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7RB0
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![BU of 7rb0 by Molmil](/molmil-images/mine/7rb0) | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-07-05 | 公開日 | 2021-07-14 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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8TPF
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![BU of 8tpf by Molmil](/molmil-images/mine/8tpf) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPG
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![BU of 8tpg by Molmil](/molmil-images/mine/8tpg) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.692 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPI
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![BU of 8tpi by Molmil](/molmil-images/mine/8tpi) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPH
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![BU of 8tph by Molmil](/molmil-images/mine/8tph) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPB
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![BU of 8tpb by Molmil](/molmil-images/mine/8tpb) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPE
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![BU of 8tpe by Molmil](/molmil-images/mine/8tpe) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPD
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![BU of 8tpd by Molmil](/molmil-images/mine/8tpd) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPC
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![BU of 8tpc by Molmil](/molmil-images/mine/8tpc) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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5VBL
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![BU of 5vbl by Molmil](/molmil-images/mine/5vbl) | Structure of apelin receptor in complex with agonist peptide | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor,Rubredoxin,Apelin receptor Chimera, ZINC ION, ... | 著者 | Ma, Y, Yue, Y, Ma, Y, Zhang, Q, Zhou, Q, Song, Y, Shen, Y, Li, X, Ma, X, Li, C, Hanson, M.A, Han, G.W, Sickmier, E.A, Swaminath, G, Zhao, S, Stevems, R.C, Hu, L.A, Zhong, W, Zhang, M, Xu, F. | 登録日 | 2017-03-29 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for Apelin Control of the Human Apelin Receptor Structure, 25, 2017
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5WYB
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![BU of 5wyb by Molmil](/molmil-images/mine/5wyb) | Structure of Pseudomonas aeruginosa DspI | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase | 著者 | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | 登録日 | 2017-01-12 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis. Sci Rep, 8, 2018
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6MO1
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![BU of 6mo1 by Molmil](/molmil-images/mine/6mo1) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
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6MO0
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![BU of 6mo0 by Molmil](/molmil-images/mine/6mo0) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J. Am. Chem. Soc., 141, 2019
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6MO2
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![BU of 6mo2 by Molmil](/molmil-images/mine/6mo2) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | 分子名称: | 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | 著者 | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | 登録日 | 2018-10-03 | 公開日 | 2019-05-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
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5WYD
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![BU of 5wyd by Molmil](/molmil-images/mine/5wyd) | Structural of Pseudomonas aeruginosa DspI | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ... | 著者 | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | 登録日 | 2017-01-12 | 公開日 | 2018-01-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis. Sci Rep, 8, 2018
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7ME0
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![BU of 7me0 by Molmil](/molmil-images/mine/7me0) | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0 | 分子名称: | Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | 登録日 | 2021-04-06 | 公開日 | 2021-04-14 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.48 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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7BOR
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![BU of 7bor by Molmil](/molmil-images/mine/7bor) | Structure of Pseudomonas aeruginosa CoA-bound OdaA | 分子名称: | COENZYME A, Probable enoyl-CoA hydratase/isomerase | 著者 | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | 登録日 | 2020-03-19 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochim Biophys Acta Gen Subj, 1865, 2020
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5V59
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![BU of 5v59 by Molmil](/molmil-images/mine/5v59) | |
5V58
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![BU of 5v58 by Molmil](/molmil-images/mine/5v58) | |
4XRX
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![BU of 4xrx by Molmil](/molmil-images/mine/4xrx) | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | 分子名称: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | 登録日 | 2015-01-21 | 公開日 | 2015-12-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds. J.Med.Chem., 58, 2015
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4I3K
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![BU of 4i3k by Molmil](/molmil-images/mine/4i3k) | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | 分子名称: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3056 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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4I3L
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![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | 分子名称: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.292 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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4GAE
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![BU of 4gae by Molmil](/molmil-images/mine/4gae) | Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | 著者 | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | 登録日 | 2012-07-25 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase. ACS Med Chem Lett, 4, 2013
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