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6N9I
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BU of 6n9i by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus - free
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
6MH0
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BU of 6mh0 by Molmil
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae
分子名称: CHLORIDE ION, Metallo-beta-lactamase NDM-3, SULFATE ION, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-09-16
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae
To Be Published
6N9Q
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BU of 6n9q by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
4BP0
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BU of 4bp0 by Molmil
Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1
分子名称: CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ...
著者McDonough, M.A, Brem, J, Schofield, C.J.
登録日2013-05-22
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
4C09
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BU of 4c09 by Molmil
Crystal structure of the metallo-beta-lactamase BCII
分子名称: BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-07-31
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4EFZ
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BU of 4efz by Molmil
Crystal Structure of a hypothetical metallo-beta-lactamase from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-30
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a hypothetical metallo-beta-lactamase from Burkholderia pseudomallei
TO BE PUBLISHED
6N9R
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BU of 6n9r by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bound to substrate 3-oxo-C12-AHL
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Elias, M.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
6MGY
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BU of 6mgy by Molmil
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae
分子名称: GLYCEROL, Metallo-beta-lactamase NDM-5, POTASSIUM ION, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-09-16
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the New Deli Metallo Beta Lactamase Variant 5 from Klebsiella pneumoniae
To Be Published
4BZ3
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BU of 4bz3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2
分子名称: BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-07-23
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.294 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4D1T
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BU of 4d1t by Molmil
High resolution structure of native tVIM-7 from Pseudomonas aeruginosa
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O.
登録日2014-05-05
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
4D1V
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BU of 4d1v by Molmil
A F218Y mutant of VIM-7 from Pseudomonas aeruginosa
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O.
登録日2014-05-05
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
4EYB
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BU of 4eyb by Molmil
Crystal structure of NDM-1 bound to hydrolyzed oxacillin
分子名称: (2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid, Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-05-01
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
4EY2
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BU of 4ey2 by Molmil
Crystal structure of NDM-1 bound to hydrolyzed methicillin
分子名称: (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
4CHL
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BU of 4chl by Molmil
Human Ethylmalonic Encephalopathy Protein 1 (hETHE1)
分子名称: FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL
著者Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2013-12-03
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
4C1D
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BU of 4c1d by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril
分子名称: BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C1C
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BU of 4c1c by Molmil
Crystal structure of the metallo-beta-lactamase BCII with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C1G
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BU of 4c1g by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.714 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4EXY
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BU of 4exy by Molmil
Crystal structure of NDM-1 bound to ethylene glycol
分子名称: 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
4EYF
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BU of 4eyf by Molmil
Crystal structure of NDM-1 bound to hydrolyzed benzylpenicillin
分子名称: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
4EXS
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BU of 4exs by Molmil
Crystal structure of NDM-1 bound to L-captopril
分子名称: Beta-lactamase NDM-1, L-CAPTOPRIL, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-04-30
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
4F6H
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BU of 4f6h by Molmil
Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site
分子名称: Beta-lactamase, PHOSPHATE ION, SULFATE ION, ...
著者Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G.
登録日2012-05-14
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site
Antimicrob.Agents Chemother., 56, 2012
4EYL
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BU of 4eyl by Molmil
Crystal structure of NDM-1 bound to hydrolyzed meropenem
分子名称: (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
6TMC
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BU of 6tmc by Molmil
VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ...
著者Leiros, H.-K.S, Christopeit, T.
登録日2019-12-04
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
6TT8
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BU of 6tt8 by Molmil
Haddock model of NDM-1/morin complex
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Metallo beta lactamase NDM-1, ZINC ION
著者Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N.
登録日2019-12-25
公開日2021-01-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
6TTC
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Haddock model of NDM-1/myricetin complex
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Metallo beta lactamase NDM-1, ZINC ION
著者Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N.
登録日2019-12-26
公開日2021-01-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020

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