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2FU7
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BU of 2fu7 by Molmil
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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BU of 2fu8 by Molmil
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
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
分子名称: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
分子名称: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
2FU6
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BU of 2fu6 by Molmil
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
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
5HH5
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BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
分子名称: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
2GCU
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BU of 2gcu by Molmil
X-Ray Structure of Gene Product from Arabidopsis Thaliana At1g53580
分子名称: 1,2-ETHANEDIOL, FE (II) ION, Putative hydroxyacylglutathione hydrolase 3, ...
著者McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-03-14
公開日2006-04-18
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献Structure of an ETHE1-like protein from Arabidopsis thaliana.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2GFJ
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BU of 2gfj by Molmil
Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1)
分子名称: 1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ...
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 (1.8 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
2H6A
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BU of 2h6a by Molmil
Crystal structure of the zinc-beta-lactamase L1 from Stenotrophomonas maltophilia (mono zinc form)
分子名称: Metallo-beta-lactamase L1, SULFATE ION, ZINC ION
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-05-31
公開日2007-04-17
最終更新日2023-08-30
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
2GMN
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BU of 2gmn by Molmil
Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
分子名称: Metallo-beta-lactamase, ZINC ION
著者Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S.
登録日2006-04-07
公開日2007-04-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006
2GKL
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BU of 2gkl by Molmil
Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate
分子名称: Beta-lactamase, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Garau, G, Dideberg, O.
登録日2006-04-03
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Competitive Inhibitors of the CphA Metallo-{beta}-Lactamase from Aeromonas hydrophila
Antimicrob.Agents Chemother., 51, 2007
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
分子名称: ZINC ION, beta-lactamase Rm3
著者Salimraj, R, Spencer, J.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
2HB9
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BU of 2hb9 by Molmil
Crystal Structure of the Zinc-Beta-Lactamase L1 from Stenotrophomonas Maltophilia (Inhibitor 3)
分子名称: 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-06-14
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 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
5JMX
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BU of 5jmx by Molmil
Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305
分子名称: (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J.
登録日2016-04-29
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
5JQJ
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BU of 5jqj by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-05
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
5K4M
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BU of 5k4m by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-20
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
5K48
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BU of 5k48 by Molmil
VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid
分子名称: 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Zollman, D, McDonough, M, Brem, J, Schofield, C.
登録日2016-05-20
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
J. Med. Chem., 61, 2018
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
6D1E
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BU of 6d1e by Molmil
Crystal structure of NDM-1 complexed with compound 7
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1K
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BU of 6d1k by Molmil
Crystal structure of NDM-1 complexed with compound 14
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1F
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BU of 6d1f by Molmil
Crystal structure of NDM-1 complexed with compound 8
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1C
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BU of 6d1c by Molmil
Crystal structure of NDM-1 complexed with compound 3
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1G
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BU of 6d1g by Molmil
Crystal structure of NDM-1 complexed with compound 9
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1J
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BU of 6d1j by Molmil
Crystal structure of NDM-1 complexed with compound 13
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019

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