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4V0H
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Human metallo beta lactamase domain containing protein 1 (hMBLAC1)
Descriptor: FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1
Authors:Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J.
Deposit date:2014-09-16
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease.
Elife, 7, 2018
3S0Z
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BU of 3s0z by Molmil
Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1)
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Guo, Y, Wang, J, Niu, G.J, Shui, W.Q, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
Deposit date:2011-05-13
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural view of the antibiotic degradation enzyme NDM-1 from a superbug.
Protein Cell, 2011
5MMD
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BU of 5mmd by Molmil
TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding
Descriptor: CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION
Authors:Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S.
Deposit date:2016-12-09
Release date:2017-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.
Antimicrob. Agents Chemother., 61, 2017
7AYJ
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BU of 7ayj by Molmil
Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
Descriptor: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
Deposit date:2020-11-12
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
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
7EV5
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BU of 7ev5 by Molmil
Crystal structure of BLEG-1 B3 metallo-beta-lactamase
Descriptor: IODIDE ION, Lactamase_B domain-containing protein, ZINC ION
Authors:Au, S.X, Muhd Noor, N.D, Matsumura, H, Rahman, R.N.Z.R.A, Normi, Y.M.
Deposit date:2021-05-20
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Dual Activity BLEG-1 from Bacillus lehensis G1 Revealed Structural Resemblance to B3 Metallo-beta-Lactamase and Glyoxalase II: An Insight into Its Enzyme Promiscuity and Evolutionary Divergence.
Int J Mol Sci, 22, 2021
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
5FQB
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BU of 5fqb by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C
Descriptor: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ...
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 (1.899 Å)
Cite:Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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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BU of 8r5t by Molmil
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
5FQC
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Crystal structure of the metallo-beta-lactamase VIM-2 with 2C
Descriptor: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ...
Authors:Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J.
Deposit date:2015-12-08
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
4CHL
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BU of 4chl by Molmil
Human Ethylmalonic Encephalopathy Protein 1 (hETHE1)
Descriptor: FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL
Authors:Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2013-12-03
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
4D1W
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BU of 4d1w by Molmil
A H224Y mutant for VIM-7 from Pseudomonas aeruginosa
Descriptor: METALLO-B-LACTAMASE, ZINC ION
Authors:Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O.
Deposit date:2014-05-05
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
1VGN
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BU of 1vgn by Molmil
Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1)
Descriptor: 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE, ACETIC ACID, Beta-lactamase IMP-1, ...
Authors:Kurosaki, H, Yamaguchi, Y, Higashi, T, Soga, K, Matsueda, S, Misumi, S, Yamagata, Y, Arakawa, Y, Goto, M.
Deposit date:2004-04-27
Release date:2005-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Irreversible Inhibition of Metallo-beta-lactamase (IMP-1) by 3-(3-Mercaptopropionylsulfanyl)propionic Acid Pentafluorophenyl Ester
Angew.Chem.Int.Ed.Engl., 44, 2005
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
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
4XUK
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BU of 4xuk by Molmil
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
Descriptor: Putative hydrolase, ZINC ION
Authors:Chen, J, Xu, J.H, Zhou, J.H.
Deposit date:2015-01-26
Release date:2015-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Bioresour Bioprocess, 2015
1DDK
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BU of 1ddk by Molmil
CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
Descriptor: ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION
Authors:Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1DD6
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BU of 1dd6 by Molmil
IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
Descriptor: (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ...
Authors:Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S.
Deposit date:1999-11-08
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
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
1DXK
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Metallo-beta-lactamase from Bacillus cereus 569/H/9 C168S mutant
Descriptor: BICARBONATE ION, CLASS B BETA-LACTAMASE, ZINC ION
Authors:Chantalat, L, Duee, E, Dideberg, O.
Deposit date:2000-01-10
Release date:2000-08-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural effects of the active site mutation cysteine to serine in Bacillus cereus zinc-beta-lactamase.
Protein Sci., 9, 2000
1BMC
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BU of 1bmc by Molmil
STRUCTURE OF A ZINC METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
Descriptor: METALLO-BETA-LACTAMASE, ZINC ION
Authors:Carfi, A, Pares, S, Duee, E, Dideberg, O.
Deposit date:1995-06-16
Release date:1996-08-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 3-D structure of a zinc metallo-beta-lactamase from Bacillus cereus reveals a new type of protein fold.
EMBO J., 14, 1995
1BVT
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BU of 1bvt by Molmil
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
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
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

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