7AU9
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | Descriptor: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7ATW
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | Descriptor: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AUB
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | Descriptor: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AUH
| Structure of P. aeruginosa PBP3 in complex with vaborbactam | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
7AU1
| Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | Descriptor: | 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, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
|
|
5LRN
| Structure of mono-zinc MCR-1 in P21 space group | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
|
|
5LRM
| Structure of di-zinc MCR-1 in P41212 space group | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2016-08-19 | Release date: | 2016-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1. Sci Rep, 7, 2017
|
|
5LS3
| |
5MMY
| Crystal structure of OXA10 with HEPES | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | Authors: | Brem, J. | Deposit date: | 2016-12-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5MOX
| OXA-10 Avibactam complex with bound CO2 | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | Authors: | Brem, J. | Deposit date: | 2016-12-14 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5MOZ
| OXA-10 Avibactam complex with bound Iodide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | Authors: | Brem, J. | Deposit date: | 2016-12-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5MNU
| OXA-10 Avibactam complex with bound bromide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | Authors: | Brem, J, McDonough, M, Clifton, I. | Deposit date: | 2016-12-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
|
|
5N5H
| Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | Deposit date: | 2017-02-14 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
|
|
5NE2
| L2 class A serine-beta-lactamase | Descriptor: | Beta-lactamase, D-GLUTAMIC ACID | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
|
|
5N5I
| Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | Deposit date: | 2017-02-14 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
|
|
4O61
| Structure of human ALKBH5 crystallized in the presence of citrate | Descriptor: | CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ... | Authors: | Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-20 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation. J.Biol.Chem., 289, 2014
|
|
4OCT
| Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ... | Authors: | Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-01-09 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation. J.Biol.Chem., 289, 2014
|
|
4PWC
| Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Keller, W, Macheroux, P. | Deposit date: | 2014-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4PVK
| Phl p 4 I153V N158H variant, a glucose oxidase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4PVH
| Phl p 4 N158H variant, a glucose dehydrogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4EZH
| |
4PVJ
| Phl p 4 I153V variant, a glucose oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4PWB
| Phl p 4 I153V variant, a glucose oxidase, pressurized with Xenon | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Keller, W, Macheroux, P. | Deposit date: | 2014-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4PZF
| Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | Deposit date: | 2014-03-30 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|
4PVE
| Wild-type Phl p 4.0202, a glucose dehydrogenase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
|
|