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4TZB
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BU of 4tzb by Molmil
Structure of NDM-Metallo-beta-lactamase
分子名称: CADMIUM ION, COBALT (II) ION, Metallo-beta-lactamase, ...
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-09
公開日2015-07-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Structure of Metallo-beta-lactamase
To Be Published
3VQZ
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BU of 3vqz by Molmil
Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid
分子名称: Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-04-02
公開日2013-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
3WXC
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BU of 3wxc by Molmil
Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor
分子名称: 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid, Beta-lactamase, ZINC ION
著者Saito, J, Watanabe, T, Yamada, M.
登録日2014-07-29
公開日2014-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray crystallographic analysis of IMP-1 metallo-beta-lactamase complexed with a 3-aminophthalic acid derivative, structure-based drug design, and synthesis of 3,6-disubstituted phthalic acid derivative inhibitors
Bioorg.Med.Chem.Lett., 24, 2014
3ZR9
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BU of 3zr9 by Molmil
Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1)
分子名称: BETA-LACTAMASE NDM-1, CADMIUM ION, COBALT (II) ION, ...
著者Green, V.L, Verma, A, Owens, R.J, Phillips, S.E.V, Carr, S.B.
登録日2011-06-15
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of New Delhi Metallo-Beta-Lactamase 1 (Ndm-1).
Acta Crystallogr.,Sect.F, 67, 2011
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2011-07-29
公開日2011-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
3X2Y
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BU of 3x2y by Molmil
Crystal structure of metallo-beta-lactamase H8A from Thermotoga maritima
分子名称: NICKEL (II) ION, UPF0173 metal-dependent hydrolase TM_1162
著者Choi, H.J, Kim, H.J, Matsuura, A, Mikami, B, Yoon, H.J, Lee, H.H.
登録日2015-01-07
公開日2016-02-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of metallo-beta-lactamase H8A from Thermotoga maritima
To be Published
3X30
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BU of 3x30 by Molmil
Crystal structure of metallo-beta-lactamase from Thermotoga maritima
分子名称: MANGANESE (II) ION, NICKEL (II) ION, UPF0173 metal-dependent hydrolase TM_1162
著者Choi, H.J, Kim, H.J, Matsuura, A, Mikami, B, Yoon, H.J, Lee, H.H.
登録日2015-01-07
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.921 Å)
主引用文献Crystal structure of metallo-beta-lactamase from Thermotoga maritima
To be Published
3X2X
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BU of 3x2x by Molmil
Crystal structure of metallo-beta-lactamase H48A from Thermotoga maritima
分子名称: MANGANESE (II) ION, UPF0173 metal-dependent hydrolase TM_1162
著者Choi, H.J, Kim, H.J, Matsuura, A, Mikami, B, Yoon, H.J, Lee, H.H.
登録日2015-01-07
公開日2016-02-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Crystal structure of metallo-beta-lactamase H48A from Thermotoga maritima
To be Published
3X2Z
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BU of 3x2z by Molmil
Crystal structure of metallo-beta-lactamase in complex with nickel from Thermotoga maritima
分子名称: NICKEL (II) ION, UPF0173 metal-dependent hydrolase TM_1162
著者Choi, H.J, Kim, H.J, Matsuura, A, Mikami, B, Yoon, H.J, Lee, H.H.
登録日2015-01-07
公開日2016-02-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of metallo-beta-lactamase in complex with nickel from Thermotoga maritima
To be Published
4AX1
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BU of 4ax1 by Molmil
Q157N mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
3VPE
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BU of 3vpe by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1
分子名称: ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ...
著者Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K.
登録日2012-02-29
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
4AWY
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BU of 4awy by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
分子名称: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
著者Lucic, A, Schofield, C.J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A60
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BU of 7a60 by Molmil
Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
分子名称: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A63
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BU of 7a63 by Molmil
Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)
分子名称: (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-24
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57000113 Å)
主引用文献Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
6ZYR
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BU of 6zyr by Molmil
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
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
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
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
7AYJ
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BU of 7ayj by Molmil
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
6ZGM
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BU of 6zgm by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681
分子名称: 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-06-19
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
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
6ZYQ
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BU of 6zyq by Molmil
Structure of NDM-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, 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 (1.7 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
7AFX
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BU of 7afx by Molmil
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
7AEZ
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BU of 7aez by Molmil
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

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件を2024-11-13に公開中

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