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4NQ5
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BU of 4nq5 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319
Descriptor: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
Authors:Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
Deposit date:2013-11-23
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Inhibition of metallo-lactamases with bicyclic compounds
TO BE PUBLISHED
4NQ2
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BU of 4nq2 by Molmil
Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION
Authors:Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C.
Deposit date:2013-11-23
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2.
Biochemistry, 53, 2014
5WCM
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BU of 5wcm by Molmil
Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement
Descriptor: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S.
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 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
5WIG
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BU of 5wig by Molmil
Structure of New Delhi Metallo-Beta-lactamase 4 (NDM-4)
Descriptor: NDM-4, ZINC ION
Authors:VanPelt, J, Williams, C, Page, R.C.
Deposit date:2017-07-19
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity.
Acs Infect Dis., 3, 2017
5W8W
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BU of 5w8w by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
4NQ4
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BU of 4nq4 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7
Descriptor: Beta-lactamase 2, POTASSIUM ION, ZINC ION
Authors:Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
Deposit date:2013-11-23
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Inhibition of metallo-lactamases with bicyclic compounds
TO BE PUBLISHED
4NQ6
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BU of 4nq6 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319
Descriptor: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
Authors:Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
Deposit date:2013-11-23
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4O98
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BU of 4o98 by Molmil
Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W
Descriptor: ZINC ION, organophosphorus hydrolase
Authors:Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H.
Deposit date:2014-01-02
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
Descriptor: 3-(2-aminophenyl)-3-oxopropanoic 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 (1.9 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5HH6
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BU of 5hh6 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
Descriptor: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
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
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
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
Descriptor: 2-(pyridin-3-yl)benzoic 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 (1.992 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
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
Descriptor: 3-methylthiophene-2-carboxylic 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 (1.77 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
Descriptor: ZINC ION, beta-lactamase Rm3
Authors:Salimraj, R, Spencer, J.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
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:2023-06-14
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
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:2023-06-14
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
5JMX
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BU of 5jmx by Molmil
Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305
Descriptor: (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2016-04-29
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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
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
2NZE
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BU of 2nze by Molmil
Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121.
Descriptor: ACETIC ACID, Beta-lactamase II, GLYCEROL, ...
Authors:Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M.
Deposit date:2006-11-23
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
J.Mol.Biol., 373, 2007
2NXA
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BU of 2nxa by Molmil
Structure of Zn-dependent Metallo-Beta-Lactamase from Bacillus Cereus R121H, C221D Double Mutant
Descriptor: Beta-lactamase II, ZINC ION
Authors:Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M.
Deposit date:2006-11-17
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
J.Mol.Biol., 373, 2007
2NYP
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BU of 2nyp by Molmil
Structure of beta-lactamase II from Bacillus cereus. R121H, C221D doble mutant with two zinc ions.
Descriptor: Beta-lactamase II, ZINC ION
Authors:Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M.
Deposit date:2006-11-21
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
J.Mol.Biol., 373, 2007

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