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8VBZ
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BU of 8vbz by Molmil
Crystal structure of the transpeptidase domain of a S310A mutant of PBP2 from Neisseria gonorrhoeae strain H041
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Stratton, C, Bala, S, Davies, C.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
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
8VEN
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BU of 8ven by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with cefoperazone
Descriptor: (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-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 (1.8 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
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
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
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
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
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
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
2G5D
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BU of 2g5d by Molmil
Crystal structure of MltA from Neisseria gonorrhoeae Monoclinic form
Descriptor: GNA33
Authors:Davies, C.
Deposit date:2006-02-22
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of the Lytic Transglycosylase MltA from N.gonorrhoeae and E.coli: Insights into Interdomain Movements and Substrate Binding.
J.Mol.Biol., 359, 2006
3P3C
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BU of 3p3c by Molmil
Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P3E
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BU of 3p3e by Molmil
Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, NITRATE ION, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P3G
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BU of 3p3g by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-009 complex
Descriptor: 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
8E4A
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BU of 8e4a by Molmil
Pseudomonas LpxC in complex with LPC-233
Descriptor: 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Najeeb, J, Zhou, P.
Deposit date:2022-08-17
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.034 Å)
Cite:Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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