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4F94
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Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
Descriptor: (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, Beta-lactamase, SULFATE ION
Authors:June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A.
Deposit date:2012-05-18
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Class D Beta-Lactamase OXA-24 K84D in Acyl-Enzyme Complex with Oxacillin
To be Published
4MNR
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BU of 4mnr by Molmil
Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
Descriptor: ACETIC ACID, MAGNESIUM ION, Peptidoglycan glycosyltransferase
Authors:Kim, Y, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-09-11
Release date:2013-09-25
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Crystal Structure of D,D-Transpeptidase Domain of Peptidoglycan Glycosyltransferase from Eggerthella lenta
To be Published
4N1X
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
Descriptor: OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2013-10-04
Release date:2013-10-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
To be Published
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
4Y0T
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BU of 4y0t by Molmil
Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU)
Descriptor: Beta-lactamase
Authors:Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2015-02-06
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, OXA-48
Authors:Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
Deposit date:2009-05-05
Release date:2009-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
1XA1
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BU of 1xa1 by Molmil
Crystal structure of the sensor domain of BlaR1 from Staphylococcus aureus in its apo form
Descriptor: PHOSPHATE ION, PYROPHOSPHATE 2-, Regulatory protein blaR1
Authors:Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C.
Deposit date:2004-08-24
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus.
J.Biol.Chem., 279, 2004
7VX3
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BU of 7vx3 by Molmil
OXA-58 crystal structure of acylated meropenem complex 2
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, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ...
Authors:Saino, H, Sugiyabu, T, Miyano, M.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:OXA-58 crystal structure of acylated meropenem complex 2
To be published
1XKZ
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BU of 1xkz by Molmil
Crystal structure of the acylated beta-lactam sensor domain of Blar1 from S. aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACYLATED CEFTAZIDIME, Regulatory protein blaR1, ...
Authors:Birck, C, Cha, J.Y, Cross, J, Schulze-Briese, C, Meroueh, S.O, Schlegel, H.B, Mobashery, S, Samama, J.-P.
Deposit date:2004-09-30
Release date:2004-11-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray crystal structure of the acylated beta-lactam sensor domain of BlaR1 from Staphylococcus aureus and the mechanism of receptor activation for signal transduction
J.Am.Chem.Soc., 126, 2004
1XA7
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BU of 1xa7 by Molmil
Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: OPEN FORM - PENICILLIN G, Regulatory protein BlaR1
Authors:Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C.
Deposit date:2004-08-25
Release date:2004-09-21
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus.
J.Biol.Chem., 279, 2004
4Y0O
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BU of 4y0o by Molmil
Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii.
Descriptor: Beta-lactamase
Authors:Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2015-02-06
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4Y0U
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BU of 4y0u by Molmil
Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii.
Descriptor: 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
Deposit date:2015-02-06
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4GN2
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BU of 4gn2 by Molmil
Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity
Descriptor: Oxacillinase
Authors:Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J.
Deposit date:2012-08-16
Release date:2013-08-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity
To be Published
3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
3ISG
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BU of 3isg by Molmil
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
Descriptor: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1
Authors:Powers, R.A.
Deposit date:2009-08-25
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
7VVI
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BU of 7vvi by Molmil
OXA-58 crystal structure of acylated meropenem complex
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
Authors:Saino, H, Sugiyabu, T, Miyano, M.
Deposit date:2021-11-06
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:OXA-58 crystal structure of acylated meropenem complex
to be published
7VX6
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OXA-58 crystal structure of acylated meropenem complex 2
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, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ...
Authors:Saino, H, Sugiyabu, T, Miyano, M.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:OXA-58 crystal structure of acylated meropenem complex 2
To be published
4IED
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BU of 4ied by Molmil
Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ...
Authors:Mangani, S, Benvenuti, M, Docquier, J.D.
Deposit date:2012-12-13
Release date:2014-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
To be Published
1FOF
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BU of 1fof by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10
Descriptor: BETA LACTAMASE OXA-10, COBALT (II) ION, SULFATE ION
Authors:Paetzel, M, Danel, F, de Castro, L, Mosimann, S.C, Page, M.G.P, Strynadka, N.C.J.
Deposit date:2000-08-28
Release date:2000-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the class D beta-lactamase OXA-10.
Nat.Struct.Biol., 7, 2000
7T7G
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Imipenem-OXA-23 2 minute complex
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, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7F
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MA-1-206-OXA-23 25 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7D
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BU of 7t7d by Molmil
MA-1-206-OXA-23 30s complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7E
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BU of 7t7e by Molmil
MA-1-206-OXA-23 3 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
2BG1
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BU of 2bg1 by Molmil
Active site restructuring regulates ligand recognition in classA Penicillin-binding proteins (PBPs)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SULFATE ION
Authors:Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2004-12-16
Release date:2005-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
8VBZ
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Crystal structure of the transpeptidase domain of a S310A mutant of PBP2 from Neisseria gonorrhoeae strain H041
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Stratton, C, Bala, S, Davies, C.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024

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