3SKB
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![BU of 3skb by Molmil](/molmil-images/mine/3skb) | Structural characterization of a GII.4 2004 norovirus variant (TCH05) | Descriptor: | Capsid | Authors: | Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V. | Deposit date: | 2011-06-22 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 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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3SJP
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![BU of 3sjp by Molmil](/molmil-images/mine/3sjp) | Structural characterization of a GII.4 2004 norovirus variant (TCH05) | Descriptor: | Capsid, ZINC ION | Authors: | Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V. | Deposit date: | 2011-06-21 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.004 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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3SR4
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![BU of 3sr4 by Molmil](/molmil-images/mine/3sr4) | Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor | Descriptor: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, ACETATE ION, GLYCEROL, ... | Authors: | Diao, J, Chen, P, Yao, Y, Prasad, B.V.V, Song, Y. | Deposit date: | 2011-07-06 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Selective Inhibitors of Histone Methyltransferase DOT1L: Design, Synthesis, and Crystallographic Studies. J.Am.Chem.Soc., 133, 2011
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3SEJ
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![BU of 3sej by Molmil](/molmil-images/mine/3sej) | Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to Secretor Lewis HBGA (LeB) | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]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: | 2011-06-10 | Release date: | 2011-07-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.041 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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3SLD
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![BU of 3sld by Molmil](/molmil-images/mine/3sld) | Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to A trisaccharide | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | 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 (2.679 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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3QI0
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![BU of 3qi0 by Molmil](/molmil-images/mine/3qi0) | Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases | Descriptor: | Beta-lactamase inhibitory protein II, SULFATE ION | Authors: | Brown, N.G, Chow, D.C, Sankaran, B, Zwart, P, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2011-01-26 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases. J.Biol.Chem., 286, 2011
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3QHY
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![BU of 3qhy by Molmil](/molmil-images/mine/3qhy) | Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases | Descriptor: | Beta-lactamase, Beta-lactamase inhibitory protein II | Authors: | Brown, N.G, Chow, D.C, Sankaran, B, Zwart, P, Prasad, B.V.V, Palzkill, T, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2011-01-26 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Analysis of the binding forces driving the tight interactions between beta-lactamase inhibitory protein-II (BLIP-II) and class A beta-lactamases. J.Biol.Chem., 286, 2011
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3RAS
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![BU of 3ras by Molmil](/molmil-images/mine/3ras) | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Diao, J, Deng, L, Prasad, B.V.V, Song, Y. | Deposit date: | 2011-03-28 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. J.Med.Chem., 54, 2011
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4P3I
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![BU of 4p3i by Molmil](/molmil-images/mine/4p3i) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA. | Descriptor: | P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-03-07 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6941 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P12
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![BU of 4p12 by Molmil](/molmil-images/mine/4p12) | Native Structure of the P domain from a GI.7 Norovirus variant. | Descriptor: | Major capsid protein | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-02-24 | Release date: | 2014-04-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6011 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P25
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![BU of 4p25 by Molmil](/molmil-images/mine/4p25) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA. | Descriptor: | Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-03-01 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4991 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P26
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![BU of 4p26 by Molmil](/molmil-images/mine/4p26) | Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA | Descriptor: | P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-03-01 | Release date: | 2014-04-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P2N
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![BU of 4p2n by Molmil](/molmil-images/mine/4p2n) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA | Descriptor: | Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P1V
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![BU of 4p1v by Molmil](/molmil-images/mine/4p1v) | Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA | Descriptor: | P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | Deposit date: | 2014-02-27 | Release date: | 2014-04-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5497 Å) | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4RX2
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![BU of 4rx2 by Molmil](/molmil-images/mine/4rx2) | 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 | Descriptor: | Beta-lactamase TEM, SULFATE ION | Authors: | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-12-08 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.315 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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4RPT
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![BU of 4rpt by Molmil](/molmil-images/mine/4rpt) | |
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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4RX3
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![BU of 4rx3 by Molmil](/molmil-images/mine/4rx3) | 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 | Descriptor: | Beta-lactamase TEM, CITRATE ANION | Authors: | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-12-08 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.39 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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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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7K6V
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![BU of 7k6v by Molmil](/molmil-images/mine/7k6v) | |
7KHY
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![BU of 7khy by Molmil](/molmil-images/mine/7khy) | Crystal structure of OXA-163 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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KH9
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![BU of 7kh9 by Molmil](/molmil-images/mine/7kh9) | Crystal structure of OXA-48 K73A in complex with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-20 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHZ
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![BU of 7khz by Molmil](/molmil-images/mine/7khz) | Crystal structure of OXA-163 K73A in complex with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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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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7K2W
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![BU of 7k2w by Molmil](/molmil-images/mine/7k2w) | Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | 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 (1.4 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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