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PDB: 605 件
8F3N
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Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion penicillin bound form from Enterococcus faecium
分子名称: OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION
著者D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W.
登録日2022-11-10
公開日2023-07-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
8F3I
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Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant penicillin bound form from Enterococcus faecium
分子名称: OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION
著者D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W.
登録日2022-11-10
公開日2023-07-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
8F3U
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Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E variant penicillin bound form from Enterococcus faecium
分子名称: OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION
著者D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W.
登録日2022-11-10
公開日2023-07-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
7ATM
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Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1)
分子名称: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATO
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Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
分子名称: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU0
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7)
分子名称: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATX
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU8
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13)
分子名称: 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU9
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14)
分子名称: GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATW
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3)
分子名称: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AUB
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15)
分子名称: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AUH
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Structure of P. aeruginosa PBP3 in complex with vaborbactam
分子名称: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-03
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU1
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12)
分子名称: 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
2WAF
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PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN R6)
分子名称: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 2B
著者Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A.
登録日2009-02-05
公開日2009-02-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
2WAE
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PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204)
分子名称: PENICILLIN-BINDING PROTEIN 2B, ZINC ION
著者Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A.
登録日2009-02-05
公開日2009-02-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
2WAD
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PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204)
分子名称: PENICILLIN-BINDING PROTEIN 2B, ZINC ION
著者Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A.
登録日2009-02-05
公開日2009-02-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
5OJ0
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Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with Cefepime
分子名称: Cefepime, Penicillin-binding protein 2X
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-07-20
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献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
5OAU
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Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
分子名称: Penicillin-binding protein 2X
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-06-23
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献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
5OJ1
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Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide
分子名称: (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
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-07-20
公開日2018-05-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
5OIZ
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Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin
分子名称: (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
著者Bernardo-Garcia, N, Hermoso, J.A.
登録日2017-07-20
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
1BZA
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BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191
分子名称: BETA-LACTAMASE, SULFATE ION
著者Ibuka, A, Taguchi, A, Ishiguro, M, Fushinobu, S, Ishii, Y, Kamitori, S, Okuyama, K, Yamaguchi, K, Konno, M, Matsuzawa, H.
登録日1998-10-28
公開日1999-04-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the E166A mutant of extended-spectrum beta-lactamase Toho-1 at 1.8 A resolution.
J.Mol.Biol., 285, 1999
5KMW
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TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
分子名称: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ...
著者Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L.
登録日2016-06-27
公開日2017-03-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
1WE4
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Crystal Structure of Class A beta-Lactamase Toho-1 G238C mutant
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Shimizu-Ibuka, A, Matsuzawa, H, Sakai, H.
登録日2004-05-24
公開日2005-03-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Engineered Disulfide Bond between Residues 69 and 238 in Extended-Spectrum beta-Lactamase Toho-1 Reduces Its Activity toward Third-Generation Cephalosporins
Biochemistry, 43, 2004
1IYO
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Toho-1 beta-Lactamase In Complex With Cefotaxime
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H.
登録日2002-09-04
公開日2002-12-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin.
J.Biol.Chem., 277, 2002
1IYQ
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Toho-1 beta-Lactamase In Complex With Benzylpenicillin
分子名称: OPEN FORM - PENICILLIN G, SULFATE ION, Toho-1 beta-lactamase
著者Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H.
登録日2002-09-04
公開日2002-12-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin.
J.Biol.Chem., 277, 2002

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