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6J8R
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Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
7AYJ
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Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
分子名称: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
登録日2020-11-12
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
7AFX
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Crystal structure of the metallo-beta-lactamase VIM2 with 139
分子名称: 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.636 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J, Brem, J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
7AEZ
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Crystal structure of the metallo-beta-lactamase NDM-7 with 407
分子名称: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-18
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.018 Å)
主引用文献Not available yet
To Be Published
7AFY
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Crystal structure of the metallo-beta-lactamase VIM1 with 1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ...
著者Brem, J, Schofield, C.J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.105 Å)
主引用文献Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
6ZYO
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BU of 6zyo by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYR
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Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYS
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BU of 6zys by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87000954 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6IBV
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BU of 6ibv by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-11-30
公開日2019-05-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6HF5
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BU of 6hf5 by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
分子名称: 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2018-08-21
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
6ZYN
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BU of 6zyn by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4000138 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYP
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BU of 6zyp by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6JKA
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BU of 6jka by Molmil
Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor
分子名称: 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid, 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one, Metallo-beta-lactamase type 2, ...
著者Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
登録日2019-02-28
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6JED
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BU of 6jed by Molmil
Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFANYLACETIC ACID, ...
著者Wachino, J.
登録日2019-02-05
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.57 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
6JKB
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BU of 6jkb by Molmil
Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T.
登録日2019-02-28
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes.
Chem Pharm Bull (Tokyo), 69, 2021
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JV4
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BU of 6jv4 by Molmil
Crystal structure of metallo-beta-lactamase VMB-1
分子名称: CITRIC ACID, VMB-1, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-04-15
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
6K4T
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BU of 6k4t by Molmil
Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic 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 (1.39 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
6KNT
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BU of 6knt by Molmil
Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332)
分子名称: 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2023-11-22
実験手法X-RAY DIFFRACTION (2.5 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
3I11
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BU of 3i11 by Molmil
Cobalt-substituted metallo-beta-lactamase from Bacillus cereus
分子名称: Beta-lactamase 2, COBALT (II) ION
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010
3I0V
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BU of 3i0v by Molmil
Bacillus cereus metallo-beta-lactamase: apo form
分子名称: Beta-lactamase 2
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010
3I14
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BU of 3i14 by Molmil
Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 partially oxidized
分子名称: Beta-lactamase 2, COBALT (II) ION, GLYCEROL
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010
3I15
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BU of 3i15 by Molmil
Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 fully oxidized
分子名称: Beta-lactamase 2, COBALT (II) ION
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010
3I13
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Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 5.8
分子名称: Beta-lactamase 2, ZINC ION
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010

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