3Q6G
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![BU of 3q6g by Molmil](/molmil-images/mine/3q6g) | Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope of HIV-1 gp120 | Descriptor: | Heavy chain of Fab of rhesus mAb 2.5B, Light chain of Fab of rhesus mAb 2.5B | Authors: | Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P. | Deposit date: | 2010-12-31 | Release date: | 2011-05-25 | Last modified: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structural Analysis of Human and Macaque mAbs 2909 and 2.5B: Implications for the Configuration of the Quaternary Neutralizing Epitope of HIV-1 gp120. Structure, 19, 2011
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3Q6F
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![BU of 3q6f by Molmil](/molmil-images/mine/3q6f) | Crystal structure of Fab of human mAb 2909 specific for quaternary neutralizing epitope of HIV-1 gp120 | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of Fab of human mAb 2909, Light chain of Fab of human mAb 2909 | Authors: | Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P. | Deposit date: | 2010-12-31 | Release date: | 2011-05-25 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (3.192 Å) | Cite: | Structural Analysis of Human and Macaque mAbs 2909 and 2.5B: Implications for the Configuration of the Quaternary Neutralizing Epitope of HIV-1 gp120. Structure, 19, 2011
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3TQW
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![BU of 3tqw by Molmil](/molmil-images/mine/3tqw) | Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii | Descriptor: | METHIONINE, Methionine-binding protein, SULFATE ION | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3TRC
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![BU of 3trc by Molmil](/molmil-images/mine/3trc) | Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii | Descriptor: | PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3TQI
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![BU of 3tqi by Molmil](/molmil-images/mine/3tqi) | Structure of the GMP synthase (guaA) from Coxiella burnetii | Descriptor: | GMP synthase [glutamine-hydrolyzing] | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3TQB
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![BU of 3tqb by Molmil](/molmil-images/mine/3tqb) | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with folate | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3TQJ
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![BU of 3tqj by Molmil](/molmil-images/mine/3tqj) | Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii | Descriptor: | FE (II) ION, Superoxide dismutase [Fe] | Authors: | Franklin, M.C, Cheung, J, Cassidy, M, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4NG4
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![BU of 4ng4 by Molmil](/molmil-images/mine/4ng4) | Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2013-11-01 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4NBQ
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![BU of 4nbq by Molmil](/molmil-images/mine/4nbq) | Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii | Descriptor: | Polyribonucleotide nucleotidyltransferase, SULFATE ION | Authors: | Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2013-10-23 | Release date: | 2015-06-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.9138 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4F3Q
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![BU of 4f3q by Molmil](/molmil-images/mine/4f3q) | Structure of a YebC family protein (CBU_1566) from Coxiella burnetii | Descriptor: | SULFATE ION, Transcriptional regulatory protein CBU_1566 | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2012-05-09 | Release date: | 2012-06-27 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4F3R
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![BU of 4f3r by Molmil](/molmil-images/mine/4f3r) | Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii | Descriptor: | CALCIUM ION, Phosphopantetheine adenylyltransferase | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2012-05-09 | Release date: | 2012-07-04 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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3GO1
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![BU of 3go1 by Molmil](/molmil-images/mine/3go1) | |
4XUZ
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![BU of 4xuz by Molmil](/molmil-images/mine/4xuz) | Structure of CTX-M-15 bound to RPX-7009 at 1.5 A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Gardberg, A. | Deposit date: | 2015-01-26 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015
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4XUX
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![BU of 4xux by Molmil](/molmil-images/mine/4xux) | Structure of ampC bound to RPX-7009 at 1.75 A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... | Authors: | Clifton, M.C, Abendroth, J. | Deposit date: | 2015-01-26 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015
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7N8K
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![BU of 7n8k by Molmil](/molmil-images/mine/7n8k) | LINE-1 endonuclease domain complex with Mg | Descriptor: | ACETATE ION, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | Authors: | Korolev, S, Miller, I. | Deposit date: | 2021-06-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease. Nucleic Acids Res., 49, 2021
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7N8S
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![BU of 7n8s by Molmil](/molmil-images/mine/7n8s) | LINE-1 endonuclease domain complex with DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*A)-3'), LINE-1 retrotransposable element ORF2 protein | Authors: | Korolev, S, Miller, I. | Deposit date: | 2021-06-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease. Nucleic Acids Res., 49, 2021
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7N94
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![BU of 7n94 by Molmil](/molmil-images/mine/7n94) | LINE-1 endonuclease domain complex with DNA | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*GP*CP*TP*A)-3'), LINE-1 retrotransposable element ORF2 protein | Authors: | Korolev, S, Miller, I. | Deposit date: | 2021-06-16 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease. Nucleic Acids Res., 49, 2021
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6V1M
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![BU of 6v1m by Molmil](/molmil-images/mine/6v1m) | Structure of NDM-1 bound to QPX7728 at 1.05 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1J
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![BU of 6v1j by Molmil](/molmil-images/mine/6v1j) | Structure of KPC-2 bound to QPX7728 at 1.30 A | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1P
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![BU of 6v1p by Molmil](/molmil-images/mine/6v1p) | Structure of VIM-2 bound to QPX7728 at 1.20 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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6V1O
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![BU of 6v1o by Molmil](/molmil-images/mine/6v1o) | Structure of OXA-48 bound to QPX7728 at 1.80 A | Descriptor: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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7TI0
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![BU of 7ti0 by Molmil](/molmil-images/mine/7ti0) | Structure of CTX-M-15 bound to RPX-7063 at 1.5A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. | Deposit date: | 2022-01-12 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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7TI2
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![BU of 7ti2 by Molmil](/molmil-images/mine/7ti2) | Structure of KPC-2 bound to RPX-7063 at 1.75A | Descriptor: | 1,2-ETHANEDIOL, Carbapenem-hydrolyzing beta-lactamase KPC, {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid | Authors: | Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J. | Deposit date: | 2022-01-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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7TI1
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![BU of 7ti1 by Molmil](/molmil-images/mine/7ti1) | Structure of AmpC bound to RPX-7063 at 2.0A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J. | Deposit date: | 2022-01-12 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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6V7H
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![BU of 6v7h by Molmil](/molmil-images/mine/6v7h) | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | Descriptor: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-12-08 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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