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4P62
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BU of 4p62 by Molmil
Directed evolution of a B3 metallo-beta-lactamase AIM-1
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase AIM-1, ZINC ION
Authors:Hou, C.-F.D, Collyer, C, Ollis, D.L.
Deposit date:2014-03-21
Release date:2015-05-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Directed evolution of a B3 metallo-beta-lactamase AIM-1
To Be Published
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
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
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
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
3T9M
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BU of 3t9m by Molmil
Crystal structure of Mutant C221D of Carbapenemase CphA from Aeromonas Hydrophila
Descriptor: ACETATE ION, Beta-lactamase
Authors:Delbruck, H, Hoffmann, K.M.V.
Deposit date:2011-08-03
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of Mutant C221D of Carbapenemase CphA from Aeromonas Hydrophila
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
2Q0I
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BU of 2q0i by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
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
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
3RKJ
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BU of 3rkj by Molmil
Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae
Descriptor: Beta-lactamase NDM-1, GLYCEROL, SULFATE ION
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-04-18
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
2P4Z
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BU of 2p4z by Molmil
A Ferredoxin-like Metallo-beta-lactamase Superfamily Protein from Thermoanaerobacter tengcongensis
Descriptor: FE (III) ION, Metal-dependent hydrolases of the beta-lactamase superfamily II
Authors:Liang, D.-C, Gu, S.-Y.
Deposit date:2007-03-14
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Tflp: A ferredoxin-like metallo-beta-lactamase superfamily protein from Thermoanaerobacter tengcongensis
Proteins, 72, 2008
2Q0J
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BU of 2q0j by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
3AJ3
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BU of 3aj3 by Molmil
Crystal structure of selenomethionine substituted 4-pyridoxolactonase from Mesorhizobium loti
Descriptor: 4-pyridoxolactonase, PHOSPHATE ION, ZINC ION
Authors:Kobayashi, J, Yoshikane, Y, Baba, S, Mikami, B, Yagi, T.
Deposit date:2010-05-21
Release date:2011-05-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.577 Å)
Cite:Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
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
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
Descriptor: Beta-lactamase, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-06-08
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
3ADR
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BU of 3adr by Molmil
The first crystal structure of an archaeal metallo-beta-lactamase superfamily protein; ST1585 from Sulfolobus tokodaii
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative uncharacterized protein ST1585, ...
Authors:Shimada, A, Ishikawa, H, Nakagawa, N, Kuramitsu, S, Masui, R.
Deposit date:2010-01-28
Release date:2010-04-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The first crystal structure of an archaeal metallo-beta-lactamase superfamily protein; ST1585 from Sulfolobus tokodaii
Proteins, 78, 2010
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
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
6ZYQ
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BU of 6zyq by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
Authors:Lucic, A, Schofield, C.J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A60
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BU of 7a60 by Molmil
Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A63
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BU of 7a63 by Molmil
Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)
Descriptor: (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57000113 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021

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