3AO1
| Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase | 分子名称: | 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | 登録日 | 2010-09-17 | 公開日 | 2011-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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6DPS
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6DO7
| NMR solution structure of wild type hFABP1 with GW7647 | 分子名称: | Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-09 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6DNL
| Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form | 分子名称: | ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION | 著者 | Smith, R.P, Heras, B, Paxman, J.J. | 登録日 | 2018-06-06 | 公開日 | 2018-09-12 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. Chem., 293, 2018
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6DNU
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6DRG
| NMR solution structure of wild type hFABP1 with GW7647 | 分子名称: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-11 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6DO6
| NMR solution structure of wild type apo hFABP1 at 308 K | 分子名称: | Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-09 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6DNV
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8FFX
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ... | 著者 | Rumrill, S.R, Ruiz, F.X, Arnold, E. | 登録日 | 2022-12-10 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach. Molecules, 28, 2023
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6BQX
| Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | 登録日 | 2017-11-29 | 公開日 | 2017-12-27 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens. Antioxid. Redox Signal., 29, 2018
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4AHV
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHS
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHT
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHR
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AH9
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE, CHLORIDE ION, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-06 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHU
| Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | 分子名称: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | 著者 | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | 登録日 | 2012-02-07 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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3VQC
| HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | 分子名称: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQE
| HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | 分子名称: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQD
| HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | 分子名称: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQQ
| HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ9
| HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine | 分子名称: | 6-fluoro-1,3-benzothiazol-2-amine, POL polyprotein | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQP
| HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | 分子名称: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ8
| HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | 分子名称: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQB
| HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | 分子名称: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ7
| HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | 分子名称: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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