3AK8
| Crystal structure of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis | 分子名称: | DNA protection during starvation protein, MAGNESIUM ION, SULFATE ION | 著者 | Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y. | 登録日 | 2010-07-08 | 公開日 | 2011-01-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis Acta Crystallogr.,Sect.F, 67, 2011
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3AK9
| Crystal structure of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis, FE-soaked form | 分子名称: | DNA protection during starvation protein, FE (II) ION, MAGNESIUM ION, ... | 著者 | Miyamoto, T, Asahina, Y, Miyazaki, S, Shimizu, H, Ohto, U, Noguchi, S, Satow, Y. | 登録日 | 2010-07-08 | 公開日 | 2011-01-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis Acta Crystallogr.,Sect.F, 67, 2011
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6AHS
| Mouse Kallikrein 7 in complex with imidazolinylindole derivative | 分子名称: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Sugawara, H. | 登録日 | 2018-08-20 | 公開日 | 2019-01-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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3GO5
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8WSM
| NLRP3 NACHT domain in complex with compound 32 | 分子名称: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Akai, S, Orita, T, Adachi, T. | 登録日 | 2023-10-17 | 公開日 | 2023-11-22 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Novel NLRP3 Inflammasome Inhibitors Composed of an Oxazole Scaffold Bearing an Acylsulfamide. Acs Med.Chem.Lett., 14, 2023
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8P0O
| Crystal structure of AaNGT complexed to UDP-Gal | 分子名称: | 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE | 著者 | Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8P0Q
| Crystal structure of AaNGT complexed to UDP and a peptide | 分子名称: | Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE | 著者 | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8P0P
| Crystal structure of AaNGT complexed to UDP-2F-Glucose | 分子名称: | Adhesin, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | 著者 | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8ZHA
| HIV-1 integrase core domain in complex with compound 15 | 分子名称: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | 著者 | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | 登録日 | 2024-05-10 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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8ZH4
| HIV-1 integrase core domain in complex with compound 5 | 分子名称: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | 著者 | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | 登録日 | 2024-05-10 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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3VYE
| Human renin in complex with inhibitor 7 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VYD
| Human renin in complex with inhibitor 6 | 分子名称: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VYF
| Human renin in complex with inhibitor 9 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VSX
| Human renin in complex with compound 18 | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-05-11 | 公開日 | 2012-07-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VSW
| Human renin in complex with compound 8 | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-05-11 | 公開日 | 2012-07-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VUC
| Human renin in complex with compound 5 | 分子名称: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | 登録日 | 2012-06-26 | 公開日 | 2013-05-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. Acs Med.Chem.Lett., 3, 2012
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