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6I1I
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BU of 6i1i by Molmil
Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin
Descriptor: Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6I1E
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BU of 6i1e by Molmil
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6N1N
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BU of 6n1n by Molmil
Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Michalska, K, Tesar, C, Endres, M, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-11-09
Release date:2018-12-19
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386
To Be Published
6I5D
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BU of 6i5d by Molmil
Crystal structure of an OXA-48 beta-lactamase synthetic mutant
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
Deposit date:2018-11-13
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
6N6X
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BU of 6n6x by Molmil
OXA-23 mutant F110A/M221A neutral pH form imipenem complex
Descriptor: Beta-lactamase oxa23, Imipenem, SULFATE ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6U
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OXA-23 mutant F110A/M221A low pH form imipenem complex
Descriptor: Beta-lactamase, Imipenem
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6W
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BU of 6n6w by Molmil
OXA-23 mutant F110A/M221A neutral pH form
Descriptor: Beta-lactamase oxa23
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6V
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BU of 6n6v by Molmil
OXA-23 mutant F110A/M221A low pH form meropenem complex
Descriptor: Beta-lactamase, meropenem, bound form
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6T
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BU of 6n6t by Molmil
OXA-23 mutant F110A/M221A low pH form
Descriptor: Beta-lactamase oxa23, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6Y
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BU of 6n6y by Molmil
OXA-23 mutant F110A/M221A neutral pH form meropenem complex
Descriptor: Beta-lactamase oxa23, meropenem, bound form
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 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
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
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
Descriptor: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-12-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6NHU
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Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
Authors:Kim, Y, Welk, L, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-23
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
To Be Published
6NHS
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BU of 6nhs by Molmil
Crystal Structure of the Beta Lactamase Class D YbXI from Nostoc
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Kim, Y, Tesar, C, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-23
Release date:2019-01-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Beta Lactamase Class D YbXI from Nostoc
To Be Published
6NLW
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BU of 6nlw by Molmil
The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Tan, K, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-09
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1
To Be Published
6NZ8
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BU of 6nz8 by Molmil
Structure of carbamylated apo OXA-231 carbapenemase
Descriptor: Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION
Authors:Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N.
Deposit date:2019-02-13
Release date:2020-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143.
Biochemistry, 58, 2019
6O9S
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BU of 6o9s by Molmil
Crystal structure of Staphylococcus aureus MecR1 antibiotic-sensor domain in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Methicillin resistance mecR1 protein, SULFATE ION
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2019-03-14
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural analysis of avibactam-mediated activation of the bla and mec divergons in methicillin-resistant Staphylococcus aureus .
J.Biol.Chem., 295, 2020
6O9W
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BU of 6o9w by Molmil
Crystal structure of Staphylococcus aureus BlaR1 antibiotic-sensor domain in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Regulatory protein BlaR1
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2019-03-15
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of avibactam-mediated activation of the bla and mec divergons in methicillin-resistant Staphylococcus aureus .
J.Biol.Chem., 295, 2020
6R40
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BU of 6r40 by Molmil
Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3)
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2019-03-21
Release date:2020-02-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6R3X
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BU of 6r3x by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
Authors:Bellini, D, Dowson, C.G.
Deposit date:2019-03-21
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6R42
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BU of 6r42 by Molmil
Structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
Authors:Bellini, D, Dowson, C.G.
Deposit date:2019-03-21
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 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
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
6P56
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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

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