6ZRG
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![BU of 6zrg by Molmil](/molmil-images/mine/6zrg) | Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S. | Deposit date: | 2020-07-13 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZRI
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![BU of 6zri by Molmil](/molmil-images/mine/6zri) | Crystal structure of OXA-10loop24 in complex with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | Deposit date: | 2020-07-13 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZRJ
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![BU of 6zrj by Molmil](/molmil-images/mine/6zrj) | Crystal structure of class D Beta-lactamase OXA-48 in complex with ertapenem | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S. | Deposit date: | 2020-07-13 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZRP
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![BU of 6zrp by Molmil](/molmil-images/mine/6zrp) | Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Tassone, G, De Luca, F, Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S, Doquier, J.D. | Deposit date: | 2020-07-14 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZRH
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![BU of 6zrh by Molmil](/molmil-images/mine/6zrh) | Crystal structure of OXA-10loop24 in complex with ertapenem | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | Deposit date: | 2020-07-13 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZW2
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![BU of 6zw2 by Molmil](/molmil-images/mine/6zw2) | Crystal structure of OXA-10loop48 in complex with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | Deposit date: | 2020-07-27 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48 To Be Published
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6ZXI
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![BU of 6zxi by Molmil](/molmil-images/mine/6zxi) | Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-07-29 | Release date: | 2021-08-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii. J.Med.Chem., 63, 2020
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7ASS
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![BU of 7ass by Molmil](/molmil-images/mine/7ass) | |
7AUX
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![BU of 7aux by Molmil](/molmil-images/mine/7aux) | Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2 | Descriptor: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-03 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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7AW5
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![BU of 7aw5 by Molmil](/molmil-images/mine/7aw5) | Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3 | Descriptor: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-06 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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7B3U
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![BU of 7b3u by Molmil](/molmil-images/mine/7b3u) | OXA-10 beta-lactamase with covalent modification | Descriptor: | Beta-lactamase OXA-10, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-12-01 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3S
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![BU of 7b3s by Molmil](/molmil-images/mine/7b3s) | OXA-10 beta-lactamase with S67Dha modification | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SODIUM ION, ... | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2020-12-01 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3R
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![BU of 7b3r by Molmil](/molmil-images/mine/7b3r) | |
8CUO
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![BU of 8cuo by Molmil](/molmil-images/mine/8cuo) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUL
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![BU of 8cul by Molmil](/molmil-images/mine/8cul) | Xray ray crystal structure of OXA-24/40 in complex with CR167 | Descriptor: | 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUM
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![BU of 8cum by Molmil](/molmil-images/mine/8cum) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8EP6
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![BU of 8ep6 by Molmil](/molmil-images/mine/8ep6) | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, ACETIC ACID, Beta-lactamase Class D Cpin_0907 | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-05 | Release date: | 2022-10-19 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in the complex with Avibactam. To Be Published
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2ZC5
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![BU of 2zc5 by Molmil](/molmil-images/mine/2zc5) | Penicillin-binding protein 1A (PBP 1A) acyl-enzyme complex (biapenem) from Streptococcus pneumoniae | Descriptor: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1H-pyrrole-2-carboxylate, Penicillin-binding protein 1A, ZINC ION | Authors: | Yamada, M, Watanabe, T, Takeuchi, Y. | Deposit date: | 2007-11-02 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Biapenem and Tebipenem Complexed with Penicillin-Binding Proteins 2X and 1A from Streptococcus pneumoniae Antimicrob.Agents Chemother., 52, 2008
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2XD1
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![BU of 2xd1 by Molmil](/molmil-images/mine/2xd1) | ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2010-04-28 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins. Proc.Natl.Acad.Sci.USA, 102, 2005
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2Y2I
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![BU of 2y2i by Molmil](/molmil-images/mine/2y2i) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA3) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y2K
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![BU of 2y2k by Molmil](/molmil-images/mine/2y2k) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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2Y2M
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![BU of 2y2m by Molmil](/molmil-images/mine/2y2m) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y2J
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![BU of 2y2j by Molmil](/molmil-images/mine/2y2j) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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2Y2N
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![BU of 2y2n by Molmil](/molmil-images/mine/2y2n) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E07) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y2Q
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![BU of 2y2q by Molmil](/molmil-images/mine/2y2q) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (Z06) | Descriptor: | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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