7D38
 
 | | flavone reductase | | 分子名称: | Cd1, FLAVIN MONONUCLEOTIDE, chrysin | | 著者 | Hong, S, Yang, G.H, Zhang, P. | | 登録日 | 2020-09-18 | | 公開日 | 2021-03-03 | | 実験手法 | X-RAY DIFFRACTION (2.649 Å) | | 主引用文献 | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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7D3B
 | | flavone reductase | | 分子名称: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE | | 著者 | Hong, S, Yang, G.H, Zhang, P. | | 登録日 | 2020-09-18 | | 公開日 | 2021-03-03 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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7D3A
 | | flavone reductase | | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE | | 著者 | Hong, S, Yang, G.H, Zhang, P. | | 登録日 | 2020-09-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | | 主引用文献 | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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5D9Y
 | | Crystal structure of TET2-5fC complex | | 分子名称: | DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ... | | 著者 | Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y. | | 登録日 | 2015-08-19 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | | 主引用文献 | Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
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5DEU
 | | Crystal structure of TET2-5hmC complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ... | | 著者 | Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y. | | 登録日 | 2015-08-26 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
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4OYT
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid | | 分子名称: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | 登録日 | 2014-02-13 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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4PFN
 | | Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base | | 分子名称: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | 登録日 | 2014-04-30 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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7UP2
 | | NDM1-inhibitor co-structure | | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Scapin, G, Fischmann, T.O. | | 登録日 | 2022-04-14 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP1
 | | NDM1-inhibitor co-structure | | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | 著者 | Scapin, G, Fischmann, T.O. | | 登録日 | 2022-04-14 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UP3
 | | NDM1-inhibitor co-structure | | 分子名称: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | | 著者 | Scapin, G, Fischmann, T.O. | | 登録日 | 2022-04-14 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOX
 | | NDM1-inhibitor co-structure | | 分子名称: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | | 著者 | Scapin, G, Fischmann, T.O. | | 登録日 | 2022-04-14 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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7UOY
 | | NDM1-inhibitor co-structure | | 分子名称: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | | 著者 | Scapin, G, Fischmann, T.O. | | 登録日 | 2022-04-14 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
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4PFF
 | | Crystal structure of Plasmodium vivax SHMT with PLP Schiff base | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | 登録日 | 2014-04-29 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | 分子名称: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | 登録日 | 2023-01-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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4P42
 | | Extended-Synaptotagmin 2, SMP - C2A - C2B Domains | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, Extended synaptotagmin-2 | | 著者 | Schauder, C.M, Wu, X, Reinisch, K.M. | | 登録日 | 2014-03-10 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structure of a lipid-bound extended synaptotagmin indicates a role in lipid transfer.
Nature, 510, 2014
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7XY4
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7XY3
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7UYA
 | | Inhibitor bound VIM1 | | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYD
 | | Inhibitor bound VIM1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYB
 | | Inhibitor bound VIM1 | | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYC
 | | Inhibitor bound VIM1 | | 分子名称: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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1SPB
 | | SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C | | 分子名称: | SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT | | 著者 | Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N. | | 登録日 | 1995-06-21 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'.
Structure, 3, 1995
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5TRL
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5TRM
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5V3M
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