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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
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
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
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
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
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
6PXX
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BU of 6pxx by Molmil
Class D beta-lactamase in complex with beta-lactam antibiotic
Descriptor: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2019-07-28
Release date:2019-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019
6HOO
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BU of 6hoo by Molmil
Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase
Descriptor: Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ...
Authors:Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
Deposit date:2018-09-17
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement.
Acs Infect Dis., 6, 2020
6HR9
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BU of 6hr9 by Molmil
Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3 from P. aeruginosa
Descriptor: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-09-26
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Nitrocefin acylation of both catalytic serines of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HR6
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BU of 6hr6 by Molmil
Nitrocefin reacted with catalytic serine (Ser294) of penicillin-binding protein 3 from Pseudomonas aeruginosa
Descriptor: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-09-26
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Nitrocefin acylation of single catalytic serine of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HR4
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BU of 6hr4 by Molmil
Apo form of penicillin-binding protein 3 from P. aeruginosa
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-09-26
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Apo form of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HUH
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BU of 6huh by Molmil
CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE
Descriptor: Beta-lactamase, SULFATE ION
Authors:Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B.
Deposit date:2018-10-08
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE
To be published
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UN1
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BU of 6un1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
Descriptor: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
Authors:Sacco, M, Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019

221051

数据于2024-06-12公开中

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