4WEJ
| Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
|
|
6PL5
| Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | Descriptor: | Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, Unknown peptide | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | Deposit date: | 2019-06-30 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex. Nat Microbiol, 5, 2020
|
|
6Y6Z
| Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion. Chem Sci, 11, 2020
|
|
4WEL
| Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176 | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
|
|
6PL6
| Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ... | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | Deposit date: | 2019-06-30 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex. Nat Microbiol, 5, 2020
|
|
4WEK
| Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam | Descriptor: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
|
|
6Q9N
| 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
|
|
6Y6U
| Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | Descriptor: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
|
|
6BSR
| Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2017-12-04 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
|
|
5KSH
| |
2WAF
| PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN R6) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 2B | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | Deposit date: | 2009-02-05 | Release date: | 2009-02-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci J.Mol.Biol., 387, 2009
|
|
5LP4
| Penicillin-Binding Protein (PBP2) from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), SULFATE ION | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
|
|
5M18
| Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2016-10-07 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc., 139, 2017
|
|
6C84
| |
6BSQ
| Enterococcus faecalis Penicillin Binding Protein 4 (PBP4) | Descriptor: | CHLORIDE ION, GLYCEROL, PBP4 protein | Authors: | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2017-12-04 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
|
|
2WAD
| PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204) | Descriptor: | PENICILLIN-BINDING PROTEIN 2B, ZINC ION | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | Deposit date: | 2009-02-05 | Release date: | 2009-02-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci J.Mol.Biol., 387, 2009
|
|
2WAE
| PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204) | Descriptor: | PENICILLIN-BINDING PROTEIN 2B, ZINC ION | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | Deposit date: | 2009-02-05 | Release date: | 2009-02-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci J.Mol.Biol., 387, 2009
|
|
8VBW
| Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form | 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, Penicillin-binding protein 1 | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1. J.Struct.Biol., 216, 2024
|
|
8VBT
| |
3PBN
| Crystal Structure of Apo PBP3 from Pseudomonas aeruginosa | Descriptor: | Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBS
| Crystal structure of PBP3 complexed with aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
8VBU
| Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Oxacillin) inhibited form | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 1 | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1. J.Struct.Biol., 216, 2024
|
|
8VBV
| Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Cephalexin) inhibited form | Descriptor: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 1 | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1. J.Struct.Biol., 216, 2024
|
|
3PBQ
| Crystal structure of PBP3 complexed with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2011-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3PBR
| Crystal structure of PBP3 complexed with meropenem | 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-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|