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3ESH
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BU of 3esh by Molmil
Crystal structure of a probable metal-dependent hydrolase from Staphylococcus aureus. Northeast Structural Genomics target ZR314
Descriptor: Protein similar to metal-dependent hydrolase
Authors:Seetharaman, J, Chen, Y, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-06
Release date:2008-10-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a probable metal-dependent hydrolase from Staphylococcus aureus. Northeast Structural Genomics target ZR314
To be Published
3DHC
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BU of 3dhc by Molmil
1.3 Angstrom Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homocysteine Bound to The catalytic Metal Center
Descriptor: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homocysteine, ...
Authors:Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2008-06-17
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
5JQJ
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BU of 5jqj by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2016-05-05
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2016-05-20
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Zollman, D, McDonough, M, Brem, J, Schofield, C.
Deposit date:2016-05-20
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
J. Med. Chem., 61, 2018
5K0W
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BU of 5k0w by Molmil
Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica
Descriptor: CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ...
Authors:Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J.
Deposit date:2016-05-17
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
1KO3
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BU of 1ko3 by Molmil
VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with Cys221 reduced
Descriptor: ACETATE ION, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O.
Deposit date:2001-12-20
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
1KO2
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BU of 1ko2 by Molmil
VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with an oxidized Cys (cysteinesulfonic)
Descriptor: ACETATE ION, VIM-2 metallo-beta-lactamase, ZINC ION
Authors:Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O.
Deposit date:2001-12-20
Release date:2003-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
5LCH
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BU of 5lch by Molmil
VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42)
Descriptor: (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2016-06-21
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LCA
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BU of 5lca by Molmil
VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17)
Descriptor: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2016-06-20
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LCF
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BU of 5lcf by Molmil
VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30)
Descriptor: 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2016-06-21
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LE1
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BU of 5le1 by Molmil
VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16)
Descriptor: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2016-06-29
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LSC
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BU of 5lsc by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor
Descriptor: 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid, CHLORIDE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Christopeit, T, Yang, K.-W, Yang, S.-K, Leiros, H.-K.S.
Deposit date:2016-08-25
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
1L9Y
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BU of 1l9y by Molmil
FEZ-1-Y228A, A Mutant of the Metallo-beta-lactamase from Legionella gormanii
Descriptor: CHLORIDE ION, FEZ-1 b-lactamase, GLYCEROL, ...
Authors:Garcia-Saez, I, Mercuri, P.S, Galleni, M, Dideberg, O.
Deposit date:2002-03-27
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Three-dimensional Structure of FEZ-1, a Monomeric Subclass B3 Metallo-beta-lactamase from Fluoribacter gormanii, in Native Form and in Complex with -Captopril
J.Mol.Biol., 325, 2003
1K07
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BU of 1k07 by Molmil
Native FEZ-1 metallo-beta-lactamase from Legionella gormanii
Descriptor: ACETATE ION, FEZ-1 beta-lactamase, GLYCEROL, ...
Authors:Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O.
Deposit date:2001-09-18
Release date:2003-01-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Three-dimensional Structure of FEZ-1, a Monomeric Subclass B3 Metallo-[beta]-lactamase from Fluoribacter gormanii, in Native Form and in Complex with -Captopril
J.MOL.BIOL., 325, 2003
1JJE
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BU of 1jje by Molmil
IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)
Descriptor: 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2001-07-04
Release date:2001-07-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
J.Biol.Chem., 276, 2001
1JT1
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BU of 1jt1 by Molmil
FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, CHLORIDE ION, FEZ-1, ...
Authors:Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O.
Deposit date:2001-08-20
Release date:2003-01-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Three-dimensional Structure of FEZ-1, a Monomeric Subclass B3 Metallo-[beta]-lactamase from Fluoribacter gormanii, in Native Form and in Complex with -Captopril
J.MOL.BIOL., 325, 2003
1JJT
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BU of 1jjt by Molmil
IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1)
Descriptor: 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2001-07-09
Release date:2001-07-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
J.Biol.Chem., 276, 2001
1MQO
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BU of 1mqo by Molmil
Metallo-beta-lactamase BcII Cd substituted from Bacillus cereus at 1.35 angstroms resolution
Descriptor: Beta-lactamase II, CADMIUM ION, CITRIC ACID
Authors:Garcia-Saez, I, Chantalat, L, Dideberg, O.
Deposit date:2002-09-17
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High resolution structure of the Cd substituted BcII from Bacillus cereus
To be Published
1M2X
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BU of 1m2x by Molmil
Crystal Structure of the metallo-beta-lactamase BlaB of Chryseobacterium meningosepticum in complex with the inhibitor D-captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ...
Authors:Garcia-Saez, I, Dideberg, O.
Deposit date:2002-06-26
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5 A structure of Chryseobacterium meningosepticum Zn-beta-lactamase in complex with the inhibitor, D-captopril
J.Biol.Chem., 278, 2003
4RL0
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BU of 4rl0 by Molmil
Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-14
Release date:2014-11-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
5FQA
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BU of 5fqa by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
Descriptor: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ...
Authors:Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2015-12-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
4TZF
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BU of 4tzf by Molmil
Structure of metallo-beta lactamase
Descriptor: NDM-8 metallo-beta-lactamase, ZINC ION
Authors:Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:structure of metallo-beta lactamase
To Be Published
4TZ9
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BU of 4tz9 by Molmil
Structure of Metallo-beta-lactamase
Descriptor: CADMIUM ION, COBALT (II) ION, Class B metallo-beta-lactamase, ...
Authors:Ferguson, J.A, Brem, J, Makena, A, McDonough, A.M, Schofield, C.J.
Deposit date:2014-07-09
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1269 Å)
Cite:Structure of Metallo-beta-lactamase
To Be Published
4TZE
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BU of 4tze by Molmil
Structure of metallo-beta-lactamase
Descriptor: Class B carbapenemase NDM-5, ZINC ION
Authors:Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.574 Å)
Cite:stucuture of metallo-beta-lactamase
To Be Published

221051

数据于2024-06-12公开中

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