6VN6
| USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6SM3
| Structure of the RagAB peptide importer in the 'closed-closed' state | 分子名称: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-GLY-ALA-THR-THR-ALA-THR-THR-THR-THR-SER-THR-SER, Lipoprotein RagB, ... | 著者 | White, J.B.R, Ranson, N.A, van den Berg, B. | 登録日 | 2019-08-21 | 公開日 | 2020-05-20 | 最終更新日 | 2020-08-05 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis. Nat Microbiol, 5, 2020
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6SMQ
| Structure of the RagAB peptide importer in the 'open-closed' state | 分子名称: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Lipoprotein RagB, ... | 著者 | White, J.B.R, Ranson, N.A, van den Berg, B. | 登録日 | 2019-08-22 | 公開日 | 2020-05-20 | 最終更新日 | 2020-08-05 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis. Nat Microbiol, 5, 2020
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6VN5
| USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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3O2W
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6NAY
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6NAW
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4GJ2
| Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | 分子名称: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Ultsch, M.H. | 登録日 | 2012-08-09 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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8G8F
| Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | 著者 | O'Neill, A.G, Kollman, J.M. | 登録日 | 2023-02-17 | 公開日 | 2023-04-19 | 最終更新日 | 2023-08-09 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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6YSL
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4GII
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6NAH
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4GMY
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7SXQ
| Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | 分子名称: | 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ... | 著者 | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | 登録日 | 2021-11-24 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum. Eur.J.Med.Chem., 243, 2022
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4GIH
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8G9B
| Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | 著者 | O'Neill, A.G, Kollman, J.M. | 登録日 | 2023-02-21 | 公開日 | 2023-04-19 | 最終更新日 | 2023-08-09 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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4GFM
| JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 分子名称: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-08-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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6YSF
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4GFO
| TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 分子名称: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-08-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GJ3
| Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | 分子名称: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Ultsch, M.H. | 登録日 | 2012-08-09 | 公開日 | 2013-05-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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2YEQ
| Structure of PhoD | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALKALINE PHOSPHATASE D, ... | 著者 | Lillington, J.E.D, Rodriguez, F, Roversi, P, Johnson, S.J, Berks, B, Lea, S.M. | 登録日 | 2011-03-30 | 公開日 | 2012-04-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal Structure of the Bacillus Subtilis Phosphodiesterase Phod Reveals an Iron and Calcium-Containing Active Site. J.Biol.Chem., 289, 2014
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7WUX
| Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi | 分子名称: | (2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, AziU2, ... | 著者 | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | 登録日 | 2022-02-09 | 公開日 | 2022-09-07 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination. J.Am.Chem.Soc., 144, 2022
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7WUW
| Crystal structure of AziU3/U2 from Streptomyces sahachiroi | 分子名称: | AziU2, AziU3, MAGNESIUM ION, ... | 著者 | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | 登録日 | 2022-02-09 | 公開日 | 2022-09-07 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination. J.Am.Chem.Soc., 144, 2022
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5Z3R
| Crystal Structure of Delta 5-3-Ketosteroid Isomerase from Mycobacterium sp. | 分子名称: | Steroid delta-isomerase | 著者 | Cheng, X.Y, Peng, F, Yang, F, Huang, Y.Q, Su, Z.D. | 登録日 | 2018-01-08 | 公開日 | 2018-01-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Delta5-3-ketosteroid isomerase. Biochim Biophys Acta Proteins Proteom, 1867, 2019
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6LAT
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