3Q6G
 
 | | Crystal structure of Fab of rhesus mAb 2.5B specific for quaternary neutralizing epitope of HIV-1 gp120 | | 分子名称: | Heavy chain of Fab of rhesus mAb 2.5B, Light chain of Fab of rhesus mAb 2.5B | | 著者 | Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P. | | 登録日 | 2010-12-31 | | 公開日 | 2011-05-25 | | 最終更新日 | 2013-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | 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
 | | Crystal structure of Fab of human mAb 2909 specific for quaternary neutralizing epitope of HIV-1 gp120 | | 分子名称: | DI(HYDROXYETHYL)ETHER, Heavy chain of Fab of human mAb 2909, Light chain of Fab of human mAb 2909 | | 著者 | Spurrier, B, Sampson, J, Totrov, M, Li, H, O'Neal, T, William, C, Robinson, J, Gorny, M.K, Zolla-Pazner, S, Kong, X.P. | | 登録日 | 2010-12-31 | | 公開日 | 2011-05-25 | | 最終更新日 | 2011-10-12 | | 実験手法 | X-RAY DIFFRACTION (3.192 Å) | | 主引用文献 | 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
 | | Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii | | 分子名称: | METHIONINE, Methionine-binding protein, SULFATE ION | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRC
 | | Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii | | 分子名称: | PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQI
 | | Structure of the GMP synthase (guaA) from Coxiella burnetii | | 分子名称: | GMP synthase [glutamine-hydrolyzing] | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQB
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with folate | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQJ
 | | Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii | | 分子名称: | FE (II) ION, Superoxide dismutase [Fe] | | 著者 | Franklin, M.C, Cheung, J, Cassidy, M, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4NG4
 | | Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2013-11-01 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4NBQ
 | | Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii | | 分子名称: | Polyribonucleotide nucleotidyltransferase, SULFATE ION | | 著者 | Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2013-10-23 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.9138 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4F3Q
 | | Structure of a YebC family protein (CBU_1566) from Coxiella burnetii | | 分子名称: | SULFATE ION, Transcriptional regulatory protein CBU_1566 | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2012-05-09 | | 公開日 | 2012-06-27 | | 最終更新日 | 2016-02-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4F3R
 | | Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii | | 分子名称: | CALCIUM ION, Phosphopantetheine adenylyltransferase | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2012-05-09 | | 公開日 | 2012-07-04 | | 最終更新日 | 2016-02-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3GO1
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4XUZ
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4XUX
 | | Structure of ampC bound to RPX-7009 at 1.75 A | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... | | 著者 | Clifton, M.C, Abendroth, J. | | 登録日 | 2015-01-26 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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
 | | LINE-1 endonuclease domain complex with Mg | | 分子名称: | ACETATE ION, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | | 著者 | Korolev, S, Miller, I. | | 登録日 | 2021-06-15 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
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7N8S
 | | LINE-1 endonuclease domain complex with DNA | | 分子名称: | 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 | | 著者 | Korolev, S, Miller, I. | | 登録日 | 2021-06-15 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
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7N94
 | | LINE-1 endonuclease domain complex with DNA | | 分子名称: | 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 | | 著者 | Korolev, S, Miller, I. | | 登録日 | 2021-06-16 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
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6V1M
 | | Structure of NDM-1 bound to QPX7728 at 1.05 A | | 分子名称: | (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 | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | 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
 | | Structure of KPC-2 bound to QPX7728 at 1.30 A | | 分子名称: | (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, ... | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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
 | | Structure of VIM-2 bound to QPX7728 at 1.20 A | | 分子名称: | (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, ... | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | 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
 | | Structure of OXA-48 bound to QPX7728 at 1.80 A | | 分子名称: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Structure of CTX-M-15 bound to RPX-7063 at 1.5A | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. | | 登録日 | 2022-01-12 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
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7TI2
 | | Structure of KPC-2 bound to RPX-7063 at 1.75A | | 分子名称: | 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 | | 著者 | Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J. | | 登録日 | 2022-01-12 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
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7TI1
 | | Structure of AmpC bound to RPX-7063 at 2.0A | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J. | | 登録日 | 2022-01-12 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
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6V7H
 | | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | | 分子名称: | 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, ... | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2019-12-08 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
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