5U53
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![BU of 5u53 by Molmil](/molmil-images/mine/5u53) | CTX-M-14 E166A with acylated ceftazidime molecule | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-12-06 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TWE
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![BU of 5twe by Molmil](/molmil-images/mine/5twe) | CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-11-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TW6
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![BU of 5tw6 by Molmil](/molmil-images/mine/5tw6) | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | Descriptor: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2016-11-11 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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2ZL6
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![BU of 2zl6 by Molmil](/molmil-images/mine/2zl6) | Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus | Descriptor: | 58 kd capsid protein, ACETATE ION, MAGNESIUM ION, ... | Authors: | Choi, J.M, Huston, A.M, Estes, M.K, Prasad, B.V.V. | Deposit date: | 2008-04-02 | Release date: | 2008-07-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Atomic resolution structural characterization of recognition of histo-blood group antigens by Norwalk virus Proc.Natl.Acad.Sci.Usa, 105, 2008
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1SLQ
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![BU of 1slq by Molmil](/molmil-images/mine/1slq) | Crystal structure of the trimeric state of the rhesus rotavirus VP4 membrane interaction domain, VP5CT | Descriptor: | VP4 | Authors: | Dormitzer, P.R, Nason, E.B, Prasad, B.V.V, Harrison, S.C. | Deposit date: | 2004-03-06 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural rearrangements in the membrane penetration protein of a non-enveloped virus. Nature, 430, 2004
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2GU0
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![BU of 2gu0 by Molmil](/molmil-images/mine/2gu0) | |
2R7P
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![BU of 2r7p by Molmil](/molmil-images/mine/2r7p) | Crystal Structure of H225A NSP2 and AMPPNP complex | Descriptor: | Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Kumar, M, Prasad, B.V.V. | Deposit date: | 2007-09-09 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity J.Virol., 81, 2007
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2R7C
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![BU of 2r7c by Molmil](/molmil-images/mine/2r7c) | |
2R8F
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![BU of 2r8f by Molmil](/molmil-images/mine/2r8f) | Crystal structure of H225A NSP2 and ATP-gS complex | Descriptor: | Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Kumar, M, Prasad, B.V.V. | Deposit date: | 2007-09-10 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity J.Virol., 81, 2007
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6CYQ
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![BU of 6cyq by Molmil](/molmil-images/mine/6cyq) | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYA
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![BU of 6cya by Molmil](/molmil-images/mine/6cya) | Rotavirus SA11 NSP2 S313A mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 2 | Authors: | Anish, R, Hu, L, Prasad, B.V.V. | Deposit date: | 2018-04-05 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CYK
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![BU of 6cyk by Molmil](/molmil-images/mine/6cyk) | CTX-M-14 N106S mutant | Descriptor: | ACETATE ION, Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYN
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![BU of 6cyn by Molmil](/molmil-images/mine/6cyn) | CTX-M-14 N106S/D240G mutant | Descriptor: | Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CYU
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![BU of 6cyu by Molmil](/molmil-images/mine/6cyu) | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CY9
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![BU of 6cy9 by Molmil](/molmil-images/mine/6cy9) | SA11 Rotavirus NSP2 with disulfide bridge | Descriptor: | MAGNESIUM ION, Non-structural protein 2 | Authors: | Anish, R, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2018-04-05 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.615 Å) | Cite: | Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2R7J
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![BU of 2r7j by Molmil](/molmil-images/mine/2r7j) | |
8SJ3
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![BU of 8sj3 by Molmil](/molmil-images/mine/8sj3) | |
8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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4G0A
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![BU of 4g0a by Molmil](/molmil-images/mine/4g0a) | |
4I3K
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![BU of 4i3k by Molmil](/molmil-images/mine/4i3k) | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3056 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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4I3L
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![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | Descriptor: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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4G0J
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![BU of 4g0j by Molmil](/molmil-images/mine/4g0j) | |
3SLN
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![BU of 3sln by Molmil](/molmil-images/mine/3sln) | Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to H pentasaccharide | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V. | Deposit date: | 2011-06-24 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution. J.Virol., 85, 2011
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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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