6V5E
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![BU of 6v5e by Molmil](/molmil-images/mine/6v5e) | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | Descriptor: | Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-04 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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3R5N
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![BU of 3r5n by Molmil](/molmil-images/mine/3r5n) | Crystal structure of PPARgammaLBD complexed with the agonist magnolol | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2011-03-18 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma). Plos One, 6, 2011
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7L8O
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![BU of 7l8o by Molmil](/molmil-images/mine/7l8o) | OXA-48 bound by Compound 4.3 | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-12-31 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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7JIE
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![BU of 7jie by Molmil](/molmil-images/mine/7jie) | |
3R5M
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![BU of 3r5m by Molmil](/molmil-images/mine/3r5m) | Crystal structure of RXRalphaLBD complexed with the agonist magnolol | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2011-03-18 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma). Plos One, 6, 2011
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3UT3
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![BU of 3ut3 by Molmil](/molmil-images/mine/3ut3) | A novel PAI-I inhibitor and its structural mechanism | Descriptor: | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione, Plasminogen activator inhibitor 1 | Authors: | Lin, Z.H, Hong, Z.B, Shi, X.L, Hu, L.H, Andreasen, P.A, Huang, M.D. | Deposit date: | 2011-11-25 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A novel PAI-I inhibitor and its structural mechanism To be Published
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3PCU
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![BU of 3pcu by Molmil](/molmil-images/mine/3pcu) | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2010-10-22 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice. Plos One, 7, 2012
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7UON
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![BU of 7uon by Molmil](/molmil-images/mine/7uon) | CTX-M-14 Y105W mutant | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2022-04-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase. Commun Biol, 6, 2023
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6V6G
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![BU of 6v6g by Molmil](/molmil-images/mine/6v6g) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V6P
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![BU of 6v6p by Molmil](/molmil-images/mine/6v6p) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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7K5V
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![BU of 7k5v by Molmil](/molmil-images/mine/7k5v) | OXA-48 bound by Compound 3.1 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-09-17 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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6V8V
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![BU of 6v8v by Molmil](/molmil-images/mine/6v8v) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V83
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![BU of 6v83 by Molmil](/molmil-images/mine/6v83) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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6V7T
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![BU of 6v7t by Molmil](/molmil-images/mine/6v7t) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-09 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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3N9N
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![BU of 3n9n by Molmil](/molmil-images/mine/3n9n) | ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9L
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![BU of 3n9l by Molmil](/molmil-images/mine/3n9l) | ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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8ELA
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![BU of 8ela by Molmil](/molmil-images/mine/8ela) | CTX-M-14 beta-lactamase mutant - N132A w MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V. | Deposit date: | 2022-09-23 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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3N9P
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![BU of 3n9p by Molmil](/molmil-images/mine/3n9p) | ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9O
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![BU of 3n9o by Molmil](/molmil-images/mine/3n9o) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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7MRY
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![BU of 7mry by Molmil](/molmil-images/mine/7mry) | Norovirus T=3 GII.4 HOV VLP | Descriptor: | VP1 | Authors: | Salmen, W, Hu, L, Prasad, B. | Deposit date: | 2021-05-10 | Release date: | 2022-03-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity. Nat Commun, 13, 2022
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3N9M
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![BU of 3n9m by Molmil](/molmil-images/mine/3n9m) | ceKDM7A from C.elegans, alone | Descriptor: | FE (II) ION, Putative uncharacterized protein, ZINC ION | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9Q
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![BU of 3n9q by Molmil](/molmil-images/mine/3n9q) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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7KHQ
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![BU of 7khq by Molmil](/molmil-images/mine/7khq) | Crystal structure of OXA-48 K73A in complex with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-21 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7K2X
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![BU of 7k2x by Molmil](/molmil-images/mine/7k2x) | Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase | Descriptor: | Beta-lactamase, GLYCEROL | Authors: | Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V. | Deposit date: | 2020-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency. J.Biol.Chem., 295, 2020
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4RVA
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![BU of 4rva by Molmil](/molmil-images/mine/4rva) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation | Descriptor: | BICARBONATE ION, Beta-lactamase TEM | Authors: | Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-11-25 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4397 Å) | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
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