4FSF
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![BU of 4fsf by Molmil](/molmil-images/mine/4fsf) | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | Descriptor: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | Authors: | Han, S. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections. Bioorg.Med.Chem.Lett., 22, 2012
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6BSQ
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![BU of 6bsq by Molmil](/molmil-images/mine/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
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6Y6Z
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![BU of 6y6z by Molmil](/molmil-images/mine/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
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5OIZ
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![BU of 5oiz by Molmil](/molmil-images/mine/5oiz) | Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin | 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 2X | Authors: | Bernardo-Garcia, N, Hermoso, J.A. | Deposit date: | 2017-07-20 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
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5OJ1
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![BU of 5oj1 by Molmil](/molmil-images/mine/5oj1) | Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide | 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 2X, SODIUM ION | Authors: | Bernardo-Garcia, N, Hermoso, J.A. | Deposit date: | 2017-07-20 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae. ACS Chem. Biol., 13, 2018
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6PL5
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![BU of 6pl5 by Molmil](/molmil-images/mine/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
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6Y6U
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![BU of 6y6u by Molmil](/molmil-images/mine/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
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6PL6
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![BU of 6pl6 by Molmil](/molmil-images/mine/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
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6XV5
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6Q9N
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![BU of 6q9n by Molmil](/molmil-images/mine/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
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5OJ0
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![BU of 5oj0 by Molmil](/molmil-images/mine/5oj0) | |
3VSK
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![BU of 3vsk by Molmil](/molmil-images/mine/3vsk) | |
3UE3
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![BU of 3ue3 by Molmil](/molmil-images/mine/3ue3) | Crystal structure of Acinetobacter baumanni PBP3 | Descriptor: | Septum formation, penicillin binding protein 3, peptidoglycan synthetase | Authors: | Han, S. | Deposit date: | 2011-10-28 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics J.Am.Chem.Soc., 133, 2011
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3VSL
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![BU of 3vsl by Molmil](/molmil-images/mine/3vsl) | Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the cefotaxime bound form. | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Yoshida, H, Tame, J.R, Park, S.Y. | Deposit date: | 2012-04-25 | Release date: | 2012-10-31 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Penicillin-Binding Protein 3 (PBP3) from Methicillin-Resistant Staphylococcus aureus in the Apo and Cefotaxime-Bound Forms. J.Mol.Biol., 423, 2012
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8F3W
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![BU of 8f3w by Molmil](/molmil-images/mine/8f3w) | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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8F3X
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![BU of 8f3x by Molmil](/molmil-images/mine/8f3x) | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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8F3Y
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![BU of 8f3y by Molmil](/molmil-images/mine/8f3y) | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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8F3V
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![BU of 8f3v by Molmil](/molmil-images/mine/8f3v) | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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5M19
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![BU of 5m19 by Molmil](/molmil-images/mine/5m19) | Crystal structure of PBP2a from MRSA in the presence of Oxacillin 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 (2 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
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5LP5
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![BU of 5lp5 by Molmil](/molmil-images/mine/5lp5) | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | Deposit date: | 2016-08-11 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex. Nat Commun, 8, 2017
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5M1A
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![BU of 5m1a by Molmil](/molmil-images/mine/5m1a) | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime 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 (2 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
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1MWT
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![BU of 1mwt by Molmil](/molmil-images/mine/1mwt) | |
1MWR
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![BU of 1mwr by Molmil](/molmil-images/mine/1mwr) | |
1MWS
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1MWU
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![BU of 1mwu by Molmil](/molmil-images/mine/1mwu) | Structure of methicillin acyl-Penicillin binding protein 2a from methicillin resistant Staphylococcus aureus strain 27r at 2.60 A resolution. | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CADMIUM ION, CHLORIDE ION, ... | Authors: | Lim, D.C, Strynadka, N.C.J. | Deposit date: | 2002-10-01 | Release date: | 2002-11-06 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the beta lactam resistance of PBP2a from methicillin-resistant Staphylococcus aureus. Nat.Struct.Biol., 9, 2002
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