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7B3S
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BU of 7b3s by Molmil
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
7B3R
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BU of 7b3r by Molmil
OXA-10 beta-lactamase with S64Dha modification and lysinoalanine crosslink
Descriptor: Beta-lactamase OXA-10, 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 (1.83 Å)
Cite:Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7L5V
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Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Monoclinic Crystal Form
Descriptor: Beta-lactamase
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-23
Release date:2021-12-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
7L5T
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Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
Descriptor: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID)
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
To Be Published
7L5R
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Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
6XQR
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OXA-48 bound by Compound 2.2
Descriptor: Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-07-10
Release date:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Descriptor: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2020-12-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7JHQ
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OXA-48 bound by Compound 2.3
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-07-21
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7R6Z
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BU of 7r6z by Molmil
OXA-48 bound by Compound 3.3
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.
Deposit date:2021-06-24
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-09-17
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7L8O
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OXA-48 bound by Compound 4.3
Descriptor: 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-12-31
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7O4A
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BU of 7o4a by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
Descriptor: Hydrolyzed piperacillin, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.028 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O49
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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4B
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BU of 7o4b by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
Descriptor: CITRIC ACID, OPEN FORM - PENICILLIN G, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7OK9
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BU of 7ok9 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
Descriptor: CADMIUM ION, CHLORIDE ION, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-05-17
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7ODA
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BU of 7oda by Molmil
OXA-48-like Beta-lactamase OXA-436
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S.
Deposit date:2021-04-29
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436.
Acta Crystallogr.,Sect.F, 77, 2021
7LY1
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BU of 7ly1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-03-05
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
6ZW2
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BU of 6zw2 by Molmil
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
6ZXI
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BU of 6zxi by Molmil
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
7RLR
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BU of 7rlr by Molmil
Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-26
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
7RL8
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BU of 7rl8 by Molmil
Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-23
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
7ATM
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BU of 7atm by Molmil
Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1)
Descriptor: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-10-30
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.582 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
7ATO
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BU of 7ato by Molmil
Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
Descriptor: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-10-30
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.587 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
7AU0
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BU of 7au0 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7)
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
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 (2.17 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
7ATX
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
Descriptor: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, 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 (1.795 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

221051

건을2024-06-12부터공개중

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