6B22
| Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
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5WIB
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to imipenem | Descriptor: | Imipenem, OXA-239 | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5WI7
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, OXA-239 | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5WI3
| Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to cefotaxime | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239. Biochem. J., 475, 2018
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5VFD
| Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | Descriptor: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | Authors: | Olivier, N.B, Lahiri, S. | Deposit date: | 2017-04-07 | Release date: | 2017-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii. Nat Microbiol, 2, 2017
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5UY7
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5U47
| 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus | Descriptor: | ACETATE ION, CHLORIDE ION, Penicillin binding protein 2X | Authors: | Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-03 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus. To Be Published
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5U2G
| 2.6 Angstrom Resolution Crystal Structure of Penicillin-Binding Protein 1A from Haemophilus influenzae | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-30 | Release date: | 2016-12-28 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | 2.6 Angstrom Resolution Crystal Structure of Penicillin-Binding Protein 1A from Haemophilus influenzae. To Be Published
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5TRO
| 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus. | Descriptor: | CHLORIDE ION, Penicillin-binding protein 1 | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-10-26 | Release date: | 2016-11-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus. To Be Published
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5TG7
| OXA-24/40 in Complex with Boronic Acid BA3 | Descriptor: | (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid, BICARBONATE ION, Beta-lactamase, ... | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | Deposit date: | 2016-09-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5TG6
| OXA-24/40 in Complex with Boronic Acid BA4 | Descriptor: | BICARBONATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | Deposit date: | 2016-09-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5TG5
| OXA-24/40 in Complex with Boronic Acid BA8 | Descriptor: | BICARBONATE ION, Beta-lactamase, METHANETHIOL, ... | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | Deposit date: | 2016-09-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5TG4
| OXA-24/40 in Complex with Boronic Acid BA16 | Descriptor: | BICARBONATE ION, Beta-lactamase, D-Glyceraldehyde, ... | Authors: | Powers, R.A, Werner, J.P, Mitchell, J.M. | Deposit date: | 2016-09-27 | Release date: | 2017-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase. Protein Sci., 26, 2017
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5QB4
| OXA-48 IN COMPLEX WITH SUBSTRATE IMIPENEM | 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, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB3
| OXA-48 IN COMPLEX WITH COMPOUND 40 | Descriptor: | 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB2
| OXA-48 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 1,2-ETHANEDIOL, 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB1
| OXA-48 IN COMPLEX WITH COMPOUND 36 | Descriptor: | 1,2-ETHANEDIOL, 3,5-bis(3-acetamidophenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB0
| OXA-48 IN COMPLEX WITH COMPOUND 35 | Descriptor: | 1,2-ETHANEDIOL, 3-pyridin-2-ylbenzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAZ
| OXA-48 IN COMPLEX WITH COMPOUND 34 | Descriptor: | 1,2-ETHANEDIOL, 3-(1~{H}-indol-5-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAY
| OXA-48 IN COMPLEX WITH COMPOUND 32 | Descriptor: | 1,2-ETHANEDIOL, 3-(1-methylpyrrol-2-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAX
| OXA-48 IN COMPLEX WITH COMPOUND 28 | Descriptor: | 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAW
| OXA-48 IN COMPLEX WITH COMPOUND 27 | Descriptor: | 3-naphthalen-2-ylbenzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAV
| OXA-48 IN COMPLEX WITH COMPOUND 26b | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAU
| OXA-48 IN COMPLEX WITH COMPOUND 26a | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAT
| OXA-48 IN COMPLEX WITH COMPOUND 24 | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(acetyloxymethyl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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