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6V73
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Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site
分子名称: BETA-MERCAPTOETHANOL, Beta-lactamase II, CHLORIDE ION, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-06
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site
To Be Published
6V71
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Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-06
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site
To Be Published
6TMC
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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
6TMB
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VIM-2_1di-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ...
著者Leiros, H.-K.S, Christopeit, T.
登録日2019-12-04
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 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
6V61
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BU of 6v61 by Molmil
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-04
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril.
To Be Published
6V5M
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Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-04
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate.
To Be Published
6TM9
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BU of 6tm9 by Molmil
VIM-2_1cc-. Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide, Beta-lactamase class B VIM-2, HYDROXIDE ION, ...
著者Leiros, H.-K.S.
登録日2019-12-03
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 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
6TMA
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VIM-2_1dj- Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ...
著者Leiros, H.-K.S.
登録日2019-12-03
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 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
6V54
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BU of 6v54 by Molmil
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-03
公開日2019-12-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Metallo Beta Lactamase from Hirschia baltica.
To Be Published
6V4X
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Cryo-EM structure of an active human histone pre-mRNA 3'-end processing machinery at 3.2 Angstrom resolution
分子名称: Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 3, Small nuclear ribonucleoprotein E, ...
著者Sun, Y, Zhang, Y, Walz, T, Tong, L.
登録日2019-12-02
公開日2020-02-19
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of an active human histone pre-mRNA 3'-end processing machinery.
Science, 367, 2020
6LFD
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BU of 6lfd by Molmil
Crystal structure of VMB-1 at pH5.5(Bis-Tris)
分子名称: GLYCEROL, VMB-1, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-12-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of VMB-1 at pH 5.5(Bis-Tris)
To Be Published
6LF4
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Crystal structure of VMB-1 bound to hydrolyzed meropenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, VMB-1 metallo-beta-lactamase, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-11-28
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of VMB-1 bound to hydrolyzed meropenem
To Be Published
6V3Q
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Crystal Structure of the Metallo-beta-Lactamase FIM-1 from Pseudomonas aeruginosa in the Mono-Zinc Form
分子名称: ISOPROPYL ALCOHOL, Metallo-beta-lactamase FIM-1, ZINC ION
著者Kim, Y, Hatzos-Skintges, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-11-26
公開日2020-01-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Metallo-beta-Lactamase FIM-1 from Pseudomonas aeruginosa in the Mono-Zinc Form
To Be Published
6V3U
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Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form
分子名称: 1,2-ETHANEDIOL, Beta-lactamase II, ISOPROPYL ALCOHOL, ...
著者Kim, Y, Maltseva, N, Mulligan, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-11-26
公開日2020-01-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form
To Be Published
6V1M
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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
6V1P
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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
6TGD
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BU of 6tgd by Molmil
Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31
分子名称: 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ...
著者Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2019-11-15
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
6TGI
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BU of 6tgi by Molmil
Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24
分子名称: 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ...
著者Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2019-11-15
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
6LBL
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BU of 6lbl by Molmil
Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor
分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ...
著者Wachino, J.
登録日2019-11-14
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
6UXU
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BU of 6uxu by Molmil
X-ray Crystal Structure of Chlorothalonil Dehalogenase: Analyzing the Catalytic Mechanism of Hydrolytic Dehalogenation
分子名称: Chlorothalonil hydrolytic dehalogenase, ZINC ION
著者Catlin, D.S, Liu, D.
登録日2019-11-08
公開日2020-05-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil.
J.Biol.Chem., 295, 2020
6T5K
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BU of 6t5k by Molmil
ECV-1 from Echinicola vietnamensis. Environmental metallo-beta-lactamases exhibit high enzymatic activity under zinc deprivation
分子名称: 1,2-ETHANEDIOL, ZINC ION, Zn-dependent hydrolase, ...
著者Frohlich, C.
登録日2019-10-16
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural and biochemical characterization of the environmental MBLs MYO-1, ECV-1 and SHD-1.
J.Antimicrob.Chemother., 75, 2020
6L3S
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Crystal structure of metallo-beta-lactamase IMP-27 from Morganella morganii
分子名称: IMP-27 metallo-beta-lactamase, ZINC ION
著者Kato, Y, Shimizu-Ibuka, A.
登録日2019-10-15
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the metallo-beta-lactamase IMP-27
To Be Published
6KZL
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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
6KZN
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Crystal Structure Of VIM-2 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 class B VIM-2, FORMIC ACID, ...
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 (1.5 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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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

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件を2024-09-11に公開中

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