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5NJW
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BU of 5njw by Molmil
Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid
分子名称: 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ...
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
5NGG
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BU of 5ngg by Molmil
Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion
分子名称: ACETATE ION, Blr6230 protein, ZINC ION
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-17
公開日2017-09-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
6ZRJ
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BU of 6zrj by Molmil
Crystal structure of class D Beta-lactamase OXA-48 in complex with ertapenem
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZRG
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BU of 6zrg by Molmil
Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZRH
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BU of 6zrh by Molmil
Crystal structure of OXA-10loop24 in complex with ertapenem
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZRI
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BU of 6zri by Molmil
Crystal structure of OXA-10loop24 in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZRP
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BU of 6zrp by Molmil
Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, De Luca, F, Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S, Doquier, J.D.
登録日2020-07-14
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZW2
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BU of 6zw2 by Molmil
Crystal structure of OXA-10loop48 in complex with hydrolyzed meropenem
分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D.
登録日2020-07-27
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6T7J
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BU of 6t7j by Molmil
As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase
分子名称: (R,R)-2,3-BUTANEDIOL, Broken Fe4S4 cluster, CITRIC ACID, ...
著者Dobbek, H, Jeoung, J.-H.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The two CO-dehydrogenases of Thermococcus sp. AM4.
Biochim Biophys Acta Bioenerg, 1861, 2020
6VWZ
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BU of 6vwz by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (20 minute air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VX0
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BU of 6vx0 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 hour air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VX1
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BU of 6vx1 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 day air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VWY
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BU of 6vwy by Molmil
Crystal structure of C45G/T50C D. vulgaris carbon monoxide dehydrogenase (anaerobic)
分子名称: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
8A76
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BU of 8a76 by Molmil
Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26
分子名称: (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Vascon, F, Legru, A, Hernandez, J.F, Cendron, L.
登録日2022-06-20
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
4HEF
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BU of 4hef by Molmil
Structure of avibactam bound to Pseudomonas aeruginosa AmpC
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL
著者Lahiri, S.D.
登録日2012-10-03
公開日2013-06-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-Lactamases
Antimicrob.Agents Chemother., 57, 2013
2GMN
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BU of 2gmn by Molmil
Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
分子名称: Metallo-beta-lactamase, ZINC ION
著者Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S.
登録日2006-04-07
公開日2007-04-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006
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