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6SKP
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BU of 6skp by Molmil
OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, SODIUM ION, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKR
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BU of 6skr by Molmil
OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKQ
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BU of 6skq by Molmil
OXA-655_MEM. Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6RTN
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BU of 6rtn by Molmil
Crystal structure of OXA-10 with VNRX-5133
Descriptor: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION
Authors:Brem, J, Schofield, C.
Deposit date:2019-05-24
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
6HB8
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BU of 6hb8 by Molmil
Crystal structure of OXA-517 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, Beta-lactamase, ...
Authors:Raczynska, J.E, Dabos, L, Zavala, A, Retailleau, P, Iorga, B, Jaskolski, M, Naas, T.
Deposit date:2018-08-09
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Genetic, biochemical and structural characterization of OXA-517, an OXA-48-like extended-spectrum cephalosporins and carbapenems-hydrolyzing beta-lactamase
To Be Published
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
Authors:Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
Deposit date:2018-07-25
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6P56
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BU of 6p56 by Molmil
Crystal structure of the transpeptidase domain of a T498A mutant of PBP2 from Neisseria gonorrhoeae
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P52
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BU of 6p52 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P53
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BU of 6p53 by Molmil
Crystal structure of the transpeptidase domain of PBP2 from Neisseria gonorrhoeae in apo form
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P96
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BU of 6p96 by Molmil
OXA-48 carbapanemase, apo form
Descriptor: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P9C
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BU of 6p9c by Molmil
OXA-48 carbapanemase, doripenem complex
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P54
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BU of 6p54 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by ceftriaxone
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P55
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BU of 6p55 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P99
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BU of 6p99 by Molmil
OXA-48 carbapanemase, ertapenem complex
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P98
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BU of 6p98 by Molmil
OXA-48 carbapanemase, meropenem complex
Descriptor: Beta-lactamase, CADMIUM ION, CALCIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6P97
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BU of 6p97 by Molmil
OXA-48 carbapanemase, imipenem complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2019-06-10
Release date:2019-08-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
6RJ7
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BU of 6rj7 by Molmil
Crystal structure of the 19F labelled OXA-48
Descriptor: Beta-lactamase, CALCIUM ION, CHLORIDE ION
Authors:Brem, J, Lohans, C, Schofield, C.
Deposit date:2019-04-26
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73002231 Å)
Cite:19F NMR Monitoring of Reversible Protein Post-Translational Modifications: Class D beta-Lactamase Carbamylation and Inhibition.
Chemistry, 25, 2019
6G9S
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BU of 6g9s by Molmil
Structural basis for the inhibition of E. coli PBP2
Descriptor: (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
Authors:Ruff, M, Levy, N.
Deposit date:2018-04-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6G9F
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BU of 6g9f by Molmil
Structural basis for the inhibition of E. coli PBP2
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase MrdA
Authors:Ruff, M, Levy, N.
Deposit date:2018-04-10
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6G9P
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BU of 6g9p by Molmil
Structural basis for the inhibition of E. coli PBP2
Descriptor: Peptidoglycan D,D-transpeptidase MrdA
Authors:Ruff, M, Levy, N.
Deposit date:2018-04-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
6G88
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BU of 6g88 by Molmil
Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm)
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)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION
Authors:Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P.
Deposit date:2018-04-08
Release date:2019-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
6G0K
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BU of 6g0k by Molmil
Crystal structure of Enterococcus faecium D63r Penicillin-Binding protein 5 (PBP5fm)
Descriptor: Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION
Authors:Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P.
Deposit date:2018-03-19
Release date:2019-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
6Q5F
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BU of 6q5f by Molmil
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
Deposit date:2018-12-08
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
Deposit date:2018-12-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6MPQ
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BU of 6mpq by Molmil
1.95 Ang crystal structure of OXA-24/40 beta-lactamase in complex the inhibitor ETX2514
Descriptor: (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, Beta-lactamase, CHLORIDE ION
Authors:van den Akker, F, Kumar, V.
Deposit date:2018-10-08
Release date:2019-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting Multidrug-ResistantAcinetobacterspp.: Sulbactam and the Diazabicyclooctenone beta-Lactamase Inhibitor ETX2514 as a Novel Therapeutic Agent.
MBio, 10, 2019

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PDB entries from 2024-06-12

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