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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
6T1H
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BU of 6t1h by Molmil
OXA-51-like beta-lactamase OXA-66
Descriptor: Beta-lactamase OXA-66, ZINC ION
Authors:Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E.
Deposit date:2019-10-04
Release date:2020-10-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the OXA-51-like beta-lactamase OXA-66
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
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
4S2J
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BU of 4s2j by Molmil
OXA-48 in complex with Avibactam at pH 6.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2M
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BU of 4s2m by Molmil
Crystal Structure of OXA-163 complexed with iodide in the active site
Descriptor: Beta-lactamase, IODIDE ION
Authors:Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4S2O
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BU of 4s2o by Molmil
OXA-10 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2L
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BU of 4s2l by Molmil
Crystal Structure of OXA-163 beta-lactamase
Descriptor: Beta-lactamase, SODIUM ION
Authors:Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4S2N
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BU of 4s2n by Molmil
OXA-48 in complex with Avibactam at pH 8.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2K
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BU of 4s2k by Molmil
OXA-48 in complex with Avibactam at pH 7.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2P
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BU of 4s2p by Molmil
Crystal structure of unbound OXA-48
Descriptor: Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4U3T
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BU of 4u3t by Molmil
Crystal structure of the transpeptidase domain of Neisseria gonorrhoeae penicillin-binding protein 2 derived from the penicillin-resistant strain 6140
Descriptor: Penicillin-binding protein 2
Authors:Fedarovich, A, Davies, C.
Deposit date:2014-07-22
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Effect of the Asp345a Insertion in Penicillin-Binding Protein 2 from Penicillin-Resistant Strains of Neisseria gonorrhoeae.
Biochemistry, 53, 2014
6V6N
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BU of 6v6n by Molmil
The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
Descriptor: Beta-lactamase, FORMIC ACID, GLYCEROL, ...
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-05
Release date:2019-12-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
To Be Published
6VBM
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BU of 6vbm by Molmil
Crystal structure of a S310A mutant of PBP2 from Neisseria gonorrhoeae
Descriptor: PHOSPHATE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6VBC
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BU of 6vbc by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-18
Release date:2020-04-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6V1O
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BU of 6v1o by Molmil
Structure of OXA-48 bound to QPX7728 at 1.80 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6VBD
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BU of 6vbd by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by ceftriaxone
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-12-18
Release date:2020-04-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6VBL
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BU of 6vbl by Molmil
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6W5O
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BU of 6w5o by Molmil
Class D beta-lactamase BAT-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6W5F
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BU of 6w5f by Molmil
Class D beta-lactamase BSU-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
1K55
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BU of 1k55 by Molmil
OXA 10 class D beta-lactamase at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K57
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BU of 1k57 by Molmil
OXA 10 class D beta-lactamase at pH 6.0
Descriptor: BETA LACTAMASE OXA-10, SULFATE ION
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K56
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BU of 1k56 by Molmil
OXA 10 class D beta-lactamase at pH 6.5
Descriptor: OXA10 beta-lactamase, SULFATE ION
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
1K6R
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BU of 1k6r by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH MOXALACTAM
Descriptor: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Beta-lactamase PSE-2
Authors:Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
Deposit date:2001-10-17
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published
1K6S
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BU of 1k6s by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH A PHENYLBORONIC ACID
Descriptor: 4-IODO-ACETAMIDO PHENYLBORONIC ACID, Beta-lactamase PSE-2, CALCIUM ION, ...
Authors:Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
Deposit date:2001-10-17
Release date:2003-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published

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數據於2024-10-09公開中

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