5KX8
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![BU of 5kx8 by Molmil](/molmil-images/mine/5kx8) | Irak4-inhibitor co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Fischmann, T.O. | 登録日 | 2016-07-20 | 公開日 | 2016-08-17 | 最終更新日 | 2016-08-24 | 実験手法 | X-RAY DIFFRACTION (2.671 Å) | 主引用文献 | Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5C70
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![BU of 5c70 by Molmil](/molmil-images/mine/5c70) | The structure of Aspergillus oryzae beta-glucuronidase | 分子名称: | Glucuronidase | 著者 | Sun, H.L, Lv, B, Huang, S, Sun, Q.F, Li, C, Jiang, T. | 登録日 | 2015-06-24 | 公開日 | 2016-06-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Enhancing the Thermostability of beta-Glucuronidase by Rationally Redesigning the Catalytic Domain Based on Sequence Alignment Strategy Ind Eng Chem Res, 55, 2016
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7EZT
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![BU of 7ezt by Molmil](/molmil-images/mine/7ezt) | The structure and functional mechanism of nucleotide regulated acetylhexosaminidase Am2136 from Akkermansia muciniphila | 分子名称: | Beta-N-acetylhexosaminidase, MAGNESIUM ION | 著者 | Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. | 登録日 | 2021-06-02 | 公開日 | 2022-11-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Nucleotide binding as an allosteric regulatory mechanism for Akkermansia muciniphila beta- N -acetylhexosaminidase Am2136. Gut Microbes, 14, 2022
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7DEK
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1GHD
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![BU of 1ghd by Molmil](/molmil-images/mine/1ghd) | Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing | 分子名称: | GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE | 著者 | Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z. | 登録日 | 2000-12-07 | 公開日 | 2003-07-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130. J.Biol.Chem., 277, 2002
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4L07
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![BU of 4l07 by Molmil](/molmil-images/mine/4l07) | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | 分子名称: | GLYCEROL, Hydrolase, isochorismatase family, ... | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | 登録日 | 2013-05-30 | 公開日 | 2014-07-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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4L08
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![BU of 4l08 by Molmil](/molmil-images/mine/4l08) | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | 分子名称: | Hydrolase, isochorismatase family, MALEIC ACID | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | 登録日 | 2013-05-31 | 公開日 | 2014-07-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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7EBQ
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![BU of 7ebq by Molmil](/molmil-images/mine/7ebq) | The structural analysis of A.Muciniphila sulfatase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase | 著者 | Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. | 登録日 | 2021-03-10 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural analysis of the sulfatase AmAS from Akkermansia muciniphila. Acta Crystallogr D Struct Biol, 77, 2021
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7EBP
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![BU of 7ebp by Molmil](/molmil-images/mine/7ebp) | The structural analysis of A.Muciniphila sulfatase | 分子名称: | CALCIUM ION, GLYCEROL, Sulfatase | 著者 | Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. | 登録日 | 2021-03-10 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.80000055 Å) | 主引用文献 | Structural analysis of the sulfatase AmAS from Akkermansia muciniphila. Acta Crystallogr D Struct Biol, 77, 2021
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7UYA
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![BU of 7uya by Molmil](/molmil-images/mine/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
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![BU of 7uyd by Molmil](/molmil-images/mine/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
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![BU of 7uyb by Molmil](/molmil-images/mine/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
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![BU of 7uyc by Molmil](/molmil-images/mine/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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7UP2
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![BU of 7up2 by Molmil](/molmil-images/mine/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
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![BU of 7up1 by Molmil](/molmil-images/mine/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
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![BU of 7up3 by Molmil](/molmil-images/mine/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
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![BU of 7uox by Molmil](/molmil-images/mine/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
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![BU of 7uoy by Molmil](/molmil-images/mine/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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8JU9
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1D3U
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![BU of 1d3u by Molmil](/molmil-images/mine/1d3u) | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/BRE+TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | 分子名称: | DNA 23-MER: BRE+TATA-BOX, DNA 24-MER: BRE+TATA-BOX, TATA-BINDING PROTEIN, ... | 著者 | Littlefield, O, Korkhin, Y, Sigler, P.B. | 登録日 | 1999-10-01 | 公開日 | 1999-11-15 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis for the oriented assembly of a TBP/TFB/promoter complex. Proc.Natl.Acad.Sci.USA, 96, 1999
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6JAU
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![BU of 6jau by Molmil](/molmil-images/mine/6jau) | The complex structure of Pseudomonas aeruginosa MucA/MucB. | 分子名称: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | 著者 | Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R. | 登録日 | 2019-01-25 | 公開日 | 2020-01-29 | 最終更新日 | 2020-08-19 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa. Commun Biol, 3, 2020
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7X08
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![BU of 7x08 by Molmil](/molmil-images/mine/7x08) | S protein of SARS-CoV-2 in complex with 2G1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | 著者 | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | 登録日 | 2022-02-21 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
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5YEI
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![BU of 5yei by Molmil](/molmil-images/mine/5yei) | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | 分子名称: | Aspartokinase, GLYCEROL, LYSINE, ... | 著者 | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | 登録日 | 2017-09-17 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase. Biochem.J., 475, 2018
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5YLO
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![BU of 5ylo by Molmil](/molmil-images/mine/5ylo) | Structural of Pseudomonas aeruginosa PA4980 | 分子名称: | GLYCEROL, Probable enoyl-CoA hydratase/isomerase | 著者 | Liu, L, Li, T, Peng, C.T, Li, C.C, Xiao, Q.J, He, L.H, Wang, N.Y, Bao, R. | 登録日 | 2017-10-18 | 公開日 | 2018-08-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structural characterization of a Delta3, Delta2-enoyl-CoA isomerase from Pseudomonas aeruginosa: implications for its involvement in unsaturated fatty acid metabolism. J.Biomol.Struct.Dyn., 37, 2019
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8I4S
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![BU of 8i4s by Molmil](/molmil-images/mine/8i4s) | the complex structure of SARS-CoV-2 Mpro with D8 | 分子名称: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | 著者 | Lu, M. | 登録日 | 2023-01-21 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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