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6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-01-15
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-04-13
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
4ZBE
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BU of 4zbe by Molmil
Crystal structure of KPC-2 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Nguyen, N.Q, van den Akker, F.
Deposit date:2015-04-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
6Z7J
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BU of 6z7j by Molmil
Structure of CTX-M-15 crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7H
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BU of 6z7h by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7I
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BU of 6z7i by Molmil
Crystal structure of CTX-M-15 E166Q mutant apoenzyme
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7K
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BU of 6z7k by Molmil
Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam
Descriptor: (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
7TC1
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BU of 7tc1 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase in complex with vaborbactam
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION, Vaborbactam
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-22
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7TB7
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BU of 7tb7 by Molmil
Crystal structure of D179N KPC-2 beta-lactamase
Descriptor: CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-21
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7TBX
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BU of 7tbx by Molmil
Crystal structure of D179Y KPC-2 beta-lactamase
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC
Authors:van den Akker, F, Alsenani, T.
Deposit date:2021-12-22
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
7R3R
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BU of 7r3r by Molmil
Crystal structure of CTX-M-15 G238C mutant apoenzyme
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-02-07
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7R3Q
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BU of 7r3q by Molmil
Crystal structure of CTX-M-15 G238C/A240 insert mutant apoenzyme
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-02-07
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7QQC
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BU of 7qqc by Molmil
Structure of CTX-M-15 K73A mutant
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-07
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7QQ5
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BU of 7qq5 by Molmil
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-01-06
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDL
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BU of 8sdl by Molmil
Crystal structure of PDC-3 beta-lactamase
Descriptor: Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
Descriptor: Beta-lactamase, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDT
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BU of 8sdt by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, IMIDAZOLE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDS
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BU of 8sds by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
5CGS
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BU of 5cgs by Molmil
CRYSTAL STRUCTURE OF Fox-4 cephamycinase
Descriptor: Beta-lactamase, ZINC ION
Authors:Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C.
Deposit date:2015-07-09
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
5CHM
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BU of 5chm by Molmil
CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06)
Descriptor: ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ...
Authors:Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C.
Deposit date:2015-07-10
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
5CGW
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BU of 5cgw by Molmil
CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F
Descriptor: ACETATE ION, Beta-lactamase, ZINC ION
Authors:Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C.
Deposit date:2015-07-09
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
5CHJ
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BU of 5chj by Molmil
CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23)
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, ACETATE ION, Beta-lactamase, ...
Authors:Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C.
Deposit date:2015-07-10
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.358 Å)
Cite:Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
5CGX
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BU of 5cgx by Molmil
CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin
Descriptor: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, SODIUM ION, ...
Authors:Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C.
Deposit date:2015-07-09
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015

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