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1BVT
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METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9
Descriptor: BICARBONATE ION, PROTEIN (BETA-LACTAMASE), ZINC ION
Authors:Carfi, A, Duee, E, Dideberg, O.
Deposit date:1998-09-18
Release date:1998-09-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 A resolution structure of the zinc (II) beta-lactamase from Bacillus cereus.
Acta Crystallogr.,Sect.D, 54, 1998
1BC2
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BU of 1bc2 by Molmil
ZN-DEPENDENT METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
Descriptor: METALLO-BETA-LACTAMASE II, SULFATE ION, ZINC ION
Authors:Fabiane, S.M, Sutton, B.J.
Deposit date:1997-04-11
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme.
Biochemistry, 37, 1998
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
Descriptor: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
7O0O
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BU of 7o0o by Molmil
Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem
Descriptor: (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-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-03-26
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form.
J.Chem.Inf.Model., 61, 2021
3LVZ
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BU of 3lvz by Molmil
New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
Descriptor: Blr6230 protein, ZINC ION
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S.
Deposit date:2010-02-23
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob.Agents Chemother., 54, 2010
8D2Z
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BU of 8d2z by Molmil
Crystal Structure of a Metallo-beta-lactamase superfamily protein from Burkholderia cenocepacia
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-05-31
Release date:2023-07-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Metallo-beta-lactamase superfamily protein from Burkholderia cenocepacia
to be published
3L6N
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BU of 3l6n by Molmil
Crystal structure of metallo-beta-lactamase IND-7
Descriptor: SULFATE ION, ZINC ION, metallo-beta-lactamase
Authors:Yamaguchi, Y, Kurosaki, H, Yamagata, Y.
Deposit date:2009-12-23
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of metallo-beta-lactamase IND-7 from a Chryseobacterium indologenes clinical isolate at 1.65-A resolution
J.Biochem., 147, 2010
8U00
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Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-08-28
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
To Be Published
6HF5
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BU of 6hf5 by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor
Descriptor: 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2018-08-21
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
7L52
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Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography
Descriptor: Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION
Authors:Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Maltseva, N, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-21
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography
To Be Published
1P9E
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BU of 1p9e by Molmil
Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
Descriptor: CADMIUM ION, Methyl Parathion Hydrolase, POTASSIUM ION, ...
Authors:Dong, Y, Sun, L, Bartlam, M, Rao, Z, Zhang, X.
Deposit date:2003-05-11
Release date:2004-05-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
To be Published
6IBS
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BU of 6ibs by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
Descriptor: CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
Descriptor: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
Authors:Mascarenhas, R.N, Liu, D.
Deposit date:2020-12-22
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021
3KNR
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BU of 3knr by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II)
Descriptor: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
Authors:Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
Deposit date:2009-11-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
6IBV
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BU of 6ibv by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-05-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7T28
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BU of 7t28 by Molmil
Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state
Descriptor: Putative metal-dependent hydrolase, ZINC ION
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7KGX
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BU of 7kgx by Molmil
Structure of PQS Response Protein PqsE in Complex with 4-(3-(2-methyl-2-morpholinobutyl)ureido)-N-(thiazol-2-yl)benzamide
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide, FE (III) ION
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2020-10-19
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Acs Chem.Biol., 16, 2021
7KGW
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BU of 7kgw by Molmil
Structure of PQS Response Protein PqsE in Complex N-(3-(1H-pyrazol-5-yl)phenyl)-1H-indazole-7-carboxamide
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[3-(1H-pyrazol-3-yl)phenyl]-1H-indazole-7-carboxamide
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2020-10-19
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Acs Chem.Biol., 16, 2021
8SKP
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BU of 8skp by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid, Metallo-beta-lactamase type 2, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SKO
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BU of 8sko by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia with L-Captopril bound
Descriptor: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SK2
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BU of 8sk2 by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-18
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
7R3F
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BU of 7r3f by Molmil
Monomeric PqsE mutant E187R
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
3KNS
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BU of 3kns by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II)
Descriptor: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
Authors:Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
Deposit date:2009-11-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
1SML
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BU of 1sml by Molmil
METALLO BETA LACTAMASE L1 FROM STENOTROPHOMONAS MALTOPHILIA
Descriptor: PROTEIN (PENICILLINASE), ZINC ION
Authors:Ullah, J.H, Walsh, T.R, Taylor, I.A, Emery, D.C, Verma, C.S, Gamblin, S.J, Spencer, J.
Deposit date:1998-09-22
Release date:1999-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution.
J.Mol.Biol., 284, 1998

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