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8VEQ
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BU of 8veq by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with azlocillin
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Stratton, C, Bala, S, Davies, C.
Deposit date:2023-12-20
Release date:2024-03-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
8VEP
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BU of 8vep by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 acylated by piperacillin
Descriptor: DI(HYDROXYETHYL)ETHER, Piperacillin (Open Form), Probable peptidoglycan D,D-transpeptidase PenA
Authors:Stratton, C.M, Bala, S, Davies, C.
Deposit date:2023-12-20
Release date:2024-03-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
1X9I
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BU of 1x9i by Molmil
Crystal structure of Crystal structure of phosphoglucose/phosphomannose phosphoglucose/phosphomannoseisomerase from Pyrobaculum aerophilum in complex with glucose 6-phosphate
Descriptor: GLUCOSE-6-PHOSPHATE, GLYCEROL, glucose-6-phosphate isomerase
Authors:Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
Deposit date:2004-08-21
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
1X9H
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BU of 1x9h by Molmil
Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with fructose 6-phosphate
Descriptor: FRUCTOSE -6-PHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
Deposit date:2004-08-21
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
3LO7
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BU of 3lo7 by Molmil
Crystal structure of PBPA from Mycobacterium tuberculosis
Descriptor: Penicillin-binding protein A
Authors:Fedarovich, A, Davies, C.
Deposit date:2010-02-03
Release date:2010-03-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unusual conformation of the SxN motif in the crystal structure of penicillin-binding protein A from Mycobacterium tuberculosis.
J.Mol.Biol., 398, 2010
3MZF
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BU of 3mzf by Molmil
Structure of penicillin-binding protein 5 from E. coli: imipenem acyl-enzyme complex
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, D-alanyl-D-alanine carboxypeptidase dacA, GLYCEROL
Authors:Nicola, G, Tomberg, J, Pratt, R.F, Nicholas, R.A, Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
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
3UN7
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BU of 3un7 by Molmil
Crystal structure of PBPA from MYCOBACTERIUM TUBERCULOSIS
Descriptor: Penicillin-binding protein A
Authors:Fedarovich, A, Davies, C.
Deposit date:2011-11-15
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
1NJ4
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BU of 1nj4 by Molmil
Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 1.9 A resolution
Descriptor: Penicillin-binding protein 5
Authors:Nicola, G, Nicholas, R.A, Davies, C.
Deposit date:2002-12-30
Release date:2003-01-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex.
J.Biol.Chem., 278, 2003
1NZO
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BU of 1nzo by Molmil
The crystal structure of wild type penicillin-binding protein 5 from E. coli
Descriptor: BETA-MERCAPTOETHANOL, Penicillin-binding protein 5
Authors:Nicholas, R.A, Krings, S, Tomberg, J, Nicola, G, Davies, C.
Deposit date:2003-02-19
Release date:2004-01-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex.
J.Biol.Chem., 278, 2003
1NZU
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BU of 1nzu by Molmil
Wild-type penicillin-binding protein 5 from E. coli modified by beta-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, Penicillin-binding protein 5
Authors:Nicola, G, Nicholas, R.A, Davies, C.
Deposit date:2003-02-19
Release date:2004-03-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A large displacement of the SXN motif of Cys115-modified penicillin-binding protein 5 from Escherichia coli.
Biochem.J., 392, 2005
1QXJ
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BU of 1qxj by Molmil
Crystal structure of native phosphoglucose isomerase from Pyrococcus furiosus
Descriptor: Glucose-6-phosphate isomerase, NICKEL (II) ION
Authors:Swan, M.K, Solomons, J.T.G, Beeson, C.C, Hansen, T, Schonheit, P, Davies, C.
Deposit date:2003-09-07
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for a hydride transfer mechanism of catalysis in phosphoglucose isomerase from Pyrococcus furiosus
J.Biol.Chem., 278, 2003
6XQV
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BU of 6xqv by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone
Descriptor: CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQZ
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BU of 6xqz by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
Descriptor: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
3MZE
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BU of 3mze by Molmil
Structure of penicillin-binding protein 5 from E.coli: cefoxitin acyl-enzyme complex
Descriptor: (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase dacA, GLYCEROL
Authors:Nicola, G, Tomberg, J, Pratt, R.F, Nicholas, R.A, Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
5HM6
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BU of 5hm6 by Molmil
N-terminal domain of BfmR from Acinetobacter baumannii
Descriptor: BfmR
Authors:Roth, B.R, Davies, C.
Deposit date:2016-01-15
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism.
J. Mol. Biol., 2018
3MZD
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BU of 3mzd by Molmil
Structure of penicillin-binding protein 5 from E. coli: cloxacillin acyl-enzyme complex
Descriptor: (2R,4S)-2-[(1S)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase dacA, GLYCEROL
Authors:Nicola, G, Tomberg, J, Pratt, R.F, Nicholas, R.A, Davies, C.
Deposit date:2010-05-12
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of covalent complexes of beta-lactam antibiotics with Escherichia coli penicillin-binding protein 5: toward an understanding of antibiotic specificity
Biochemistry, 49, 2010
2NRA
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BU of 2nra by Molmil
Crystal structure of Pi initiator protein in complex with iteron DNA
Descriptor: 5'-D(*GP*AP*AP*CP*AP*TP*GP*AP*GP*AP*GP*CP*TP*TP*AP*GP*TP*AP*CP*GP*TP*CP*T)-3', 5'-D(*GP*AP*CP*GP*TP*AP*CP*TP*AP*AP*GP*CP*TP*CP*TP*CP*AP*TP*GP*TP*TP*CP*T)-3', PI protein
Authors:Swan, M.K, Bastia, D, Davies, C.
Deposit date:2006-11-01
Release date:2006-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of pi initiator protein-iteron complex of plasmid R6K: implications for initiation of plasmid DNA replication.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2O2Q
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BU of 2o2q by Molmil
Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADP
Descriptor: Formyltetrahydrofolate dehydrogenase, GLYCEROL, MAGNESIUM ION, ...
Authors:Tsybovsky, Y, Donato, H, Krupenko, N.I, Davies, C, Krupenko, S.A.
Deposit date:2006-11-30
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the carboxyl terminal domain of rat 10-formyltetrahydrofolate dehydrogenase: implications for the catalytic mechanism of aldehyde dehydrogenases.
Biochemistry, 46, 2007
2O2P
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BU of 2o2p by Molmil
Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase
Descriptor: Formyltetrahydrofolate dehydrogenase, GLYCEROL, SULFATE ION
Authors:Tsybovsky, Y, Donato, H, Krupenko, N.I, Davies, C, Krupenko, S.A.
Deposit date:2006-11-30
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the carboxyl terminal domain of rat 10-formyltetrahydrofolate dehydrogenase: implications for the catalytic mechanism of aldehyde dehydrogenases.
Biochemistry, 46, 2007
3BEC
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BU of 3bec by Molmil
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic cephalosporin
Descriptor: (2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 5
Authors:Powell, A.J, Davies, C.
Deposit date:2007-11-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of complexes of bacterial DD-peptidases with peptidoglycan-mimetic ligands: the substrate specificity puzzle
J.Mol.Biol., 381, 2008
2O2R
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BU of 2o2r by Molmil
Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADPH
Descriptor: Formyltetrahydrofolate dehydrogenase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tsybovsky, Y, Donato, H, Krupenko, N.I, Davies, C, Krupenko, S.A.
Deposit date:2006-11-30
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the carboxyl terminal domain of rat 10-formyltetrahydrofolate dehydrogenase: implications for the catalytic mechanism of aldehyde dehydrogenases.
Biochemistry, 46, 2007
3BEB
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BU of 3beb by Molmil
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic penicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 5
Authors:Heilemann, J, Powell, A.J, Davies, C.
Deposit date:2007-11-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of complexes of bacterial DD-peptidases with peptidoglycan-mimetic ligands: the substrate specificity puzzle
J.Mol.Biol., 381, 2008

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