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1ZTC
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BU of 1ztc by Molmil
Crystal structure of a putative metallo-beta-lactamase (tm0894) from Thermotoga maritima at 2.10 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-05-26
Release date:2005-06-28
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of hypothetical protein (tm0894) from Thermotoga maritima at 2.10 A resolution
To be published
4PVT
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BU of 4pvt by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
2A7M
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BU of 2a7m by Molmil
1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis
Descriptor: GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION
Authors:Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D.
Deposit date:2005-07-05
Release date:2005-08-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis
Proc.Natl.Acad.Sci.Usa, 102, 2005
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
4HL2
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BU of 4hl2 by Molmil
New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-10-15
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin
To be Published
4HL1
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BU of 4hl1 by Molmil
Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase NDM-1, CADMIUM ION, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-10-15
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
To be Published
2QDS
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BU of 2qds by Molmil
Crystal Structure of the Zinc Carbapenemase CPHA in Complex with the Inhibitor D-Captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Beta-lactamase, GLYCEROL, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2007-06-21
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for the broad-spectrum inhibition of metallo-beta-lactamases by thiols.
Org.Biomol.Chem., 6, 2008
2QJS
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BU of 2qjs by Molmil
Stenotrophomonas maltophilia L1 metallo-beta-lactamase Asp-120 Asn mutant
Descriptor: Metallo-beta-lactamase L1, ZINC ION
Authors:Crisp, J, Conners, R, Spencer, J.
Deposit date:2007-07-09
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases
Biochemistry, 46, 2007
4HKY
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BU of 4hky by Molmil
New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem
Descriptor: (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Beta-lactamase NDM-1, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-10-15
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem
To be Published
2R2D
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BU of 2r2d by Molmil
Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens
Descriptor: GLYCEROL, PHOSPHATE ION, ZINC ION, ...
Authors:Liu, D, Thomas, P.W, Momb, J, Hoang, Q, Petsko, G.A, Ringe, D, Fast, W.
Deposit date:2007-08-24
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
Biochemistry, 46, 2007
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
Descriptor: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
Authors:Nauton, L, Garau, G, Khan, R, Dideberg, O.
Deposit date:2015-09-14
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
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
Descriptor: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
3SRX
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BU of 3srx by Molmil
New Delhi Metallo-beta-Lactamase-1 Complexed with Cd
Descriptor: Beta-lactamase NDM-1, CADMIUM ION, CHLORIDE ION, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-07-07
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New Delhi Metallo-beta-Lactamase-1 Complexed with Cd
To be Published
5HH5
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BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
Descriptor: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
2M5C
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BU of 2m5c by Molmil
Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII
Descriptor: Beta-lactamase 2, ZINC ION
Authors:Karsisiotis, A.I, Damblon, C.F, Roberts, G.C.K.
Deposit date:2013-02-20
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of the Bacillus cereus metallo-beta-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Biochem.J., 456, 2013
2M5D
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BU of 2m5d by Molmil
Solution Structure of the Bacillus cereus Metallo-Beta-Lactamase BcII in Complex with R-Thiomandelic Acid
Descriptor: (2R)-phenyl(sulfanyl)ethanoic acid, Beta-lactamase 2, ZINC ION
Authors:Karsisiotis, A.I, Damblon, C.F, Roberts, G.C.K.
Deposit date:2013-02-20
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of the Bacillus cereus metallo-beta-lactamase BcII and its complex with the broad spectrum inhibitor R-thiomandelic acid.
Biochem.J., 456, 2013
3SFP
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BU of 3sfp by Molmil
Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella pneumoniae
Descriptor: Beta-lactamase NDM-1, CHLORIDE ION, CITRIC ACID, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-06-13
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
5EHT
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BU of 5eht by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
Descriptor: GLYCEROL, N-acyl homoserine lactonase, ZINC ION
Authors:Jackson, C.J, Hong, N.-S.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
4J5F
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BU of 4j5f by Molmil
Crystal Structure of B. thuringiensis AiiA mutant F107W
Descriptor: GLYCEROL, N-acyl homoserine lactonase, ZINC ION
Authors:Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2013-02-08
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013
2UYX
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BU of 2uyx by Molmil
metallo-beta-lactamase (1BC2) single point mutant D120S
Descriptor: BETA-LACTAMASE II, GLYCEROL, ZINC ION
Authors:Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J.
Deposit date:2007-04-20
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity.
J. Biol. Chem., 282, 2007
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
Descriptor: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
Authors:Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
3SPU
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BU of 3spu by Molmil
apo NDM-1 Crystal Structure
Descriptor: Beta-lactamase NDM-1, ZINC ION
Authors:Strynadka, N.C.J, King, D.T.
Deposit date:2011-07-03
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of New Delhi metallo-beta-lactamase reveals molecular basis for antibiotic resistance
Protein Sci., 20, 2011
3SW3
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BU of 3sw3 by Molmil
EDTA-free crystal structure of the mutant C221D of carbapenemase CphA from Aeromonas hydrophila
Descriptor: Beta-lactamase
Authors:Delbruck, H, Hoffmann, K.M.V.
Deposit date:2011-07-13
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:EDTA-free crystal structure of the mutant C221D of carbapenemase CphA from Aeromonas hydrophila
To be Published
5HH4
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BU of 5hh4 by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4J5H
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BU of 4j5h by Molmil
Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site
Descriptor: GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ...
Authors:Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D.
Deposit date:2013-02-08
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013

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