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3PG4
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The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
分子名称: Metallo-beta-lactamase
著者Kim, H.T, Cho, Y.S, Chang, H.J.
登録日2010-10-29
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of New Delhi Metallo-beta lactamase (NDM-1)
To be Published
4V0H
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Human metallo beta lactamase domain containing protein 1 (hMBLAC1)
分子名称: FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1
著者Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J.
登録日2014-09-16
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease.
Elife, 7, 2018
2FU7
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Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (Cu-substituted form)
分子名称: 1,10-PHENANTHROLINE, COPPER (II) ION, GLYCEROL, ...
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-01-26
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
2FU8
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Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (d-captopril complex)
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-01-26
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
4UWP
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Penta Zn1 coordination. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
分子名称: METALLO-BETA-LACTAMASE VIM-26, ZINC ION
著者Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O.
登録日2014-08-14
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases.
FEBS J., 282, 2015
4WD6
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Crystal Structure of DIM-1 metallo-beta-lactamase
分子名称: Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2014-09-07
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of DIM-1 metallo-beta-lactamase
To Be Published
2FU6
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Zinc-beta-lactamase l1 from stenotrophomonas maltophilia (apo form)
分子名称: GLYCEROL, Metallo-beta-lactamase L1, SULFATE ION
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-01-26
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (apo form)
To be Published
4UWS
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VIM-26-PEG. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, METALLO-BETA-LACTAMASE VIM-26, ...
著者Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O.
登録日2014-08-14
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases.
FEBS J., 282, 2015
2Y8B
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VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
2YZ3
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Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor
分子名称: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ...
著者Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H.
登録日2007-05-02
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor.
J.Med.Chem., 50, 2007
2YNV
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BU of 2ynv by Molmil
Cys221 oxidized, Mono zinc GIM-1 - GIM-1-Ox. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta- lactamases
分子名称: GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION
著者Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S.
登録日2012-10-18
公開日2013-07-24
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
2GFK
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BU of 2gfk by Molmil
Crystal structure of the zinc-beta-lactamase l1 from stenotrophomonas maltophilia (inhibitor 2)
分子名称: 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, Metallo-beta-lactamase L1, ...
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-03-22
公開日2007-03-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
8U00
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Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2023-08-28
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
To Be Published
8Z5L
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Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor
分子名称: 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T.
登録日2024-04-18
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis.
Biochemistry, 63, 2024
6K4X
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Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ...
著者Wachino, J.
登録日2019-05-27
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
7OVH
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVE
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210)
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVF
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207)
分子名称: 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-06-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
6KNS
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Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group I4122)
分子名称: CALCIUM ION, Putative metal-dependent hydrolase, ZINC ION
著者Na, H.W, Namgung, B, Song, W.S, Yoon, S.I.
登録日2019-08-07
公開日2019-09-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis.
Biochem.Biophys.Res.Commun., 519, 2019
6KZL
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BU of 6kzl by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2
分子名称: 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ...
著者Wachino, J.
登録日2019-09-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
6KXO
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BU of 6kxo by Molmil
Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor NO9
分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Wachino, J.
登録日2019-09-12
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
6KW1
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The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
分子名称: 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Yang, K.W, Xiang, Y.
登録日2019-09-05
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.775212 Å)
主引用文献Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
7PP0
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
分子名称: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
7L5F
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Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
分子名称: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
著者Mascarenhas, R.N, Liu, D.
登録日2020-12-22
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
7KGX
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Structure of PQS Response Protein PqsE in Complex with 4-(3-(2-methyl-2-morpholinobutyl)ureido)-N-(thiazol-2-yl)benzamide
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide, FE (III) ION
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2020-10-19
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Acs Chem.Biol., 16, 2021

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