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1EWZ
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BU of 1ewz by Molmil
CRYSTAL STRUCTURE OF THE OXA-10 BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
Descriptor: BETA LACTAMASE OXA-10
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Tranier, S, Ishiwata, A, Kotra, L.P, Samama, J.P, Mobashery, S.
Deposit date:2000-04-28
Release date:2000-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The First Structural and Mechanistic Insights for Class D beta-Lactamases: Evidence for a Novel Catalytic Process for Turnover of beta-Lactam Antibiotics
J.Am.Chem.Soc., 122, 2000
3UN7
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BU of 3un7 by Molmil
Crystal structure of PBPA from MYCOBACTERIUM TUBERCULOSIS
Descriptor: Penicillin-binding protein A
Authors:Fedarovich, A, Davies, C.
Deposit date:2011-11-15
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
1NRF
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BU of 1nrf by Molmil
C-terminal domain of the Bacillus licheniformis BlaR penicillin-receptor
Descriptor: REGULATORY PROTEIN BLAR1
Authors:Kerff, F, Charlier, P, Columbo, M.L, Sauvage, E, Brans, A, Frere, J.M, Joris, B, Fonze, E.
Deposit date:2003-01-24
Release date:2004-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the sensor domain of the BlaR penicillin receptor from Bacillus licheniformis.
Biochemistry, 42, 2003
8PEA
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BU of 8pea by Molmil
OXA-48_F72L. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Leiros, H.-K.S, Frohlich, C.
Deposit date:2023-06-13
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution.
To Be Published, 2024
8PEC
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BU of 8pec by Molmil
OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION
Authors:Leiros, H.-K.S, Frohlich, C.
Deposit date:2023-06-13
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution.
To Be Published, 2024
8PEB
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BU of 8peb by Molmil
OXA-48_Q5. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Leiros, H.-K.S, Frohlich, C.
Deposit date:2023-06-13
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution.
To Be Published, 2024
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2023-09-27
Release date:2023-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
4S2O
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BU of 4s2o by Molmil
OXA-10 in complex with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, COBALT (II) ION
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
5FDH
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BU of 5fdh by Molmil
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B.
Deposit date:2015-12-16
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
5FAQ
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BU of 5faq by Molmil
OXA-48 in complex with FPI-1465
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FAT
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BU of 5fat by Molmil
OXA-48 in complex with FPI-1602
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-12
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
4S2L
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BU of 4s2l by Molmil
Crystal Structure of OXA-163 beta-lactamase
Descriptor: Beta-lactamase, SODIUM ION
Authors:Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4S2N
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BU of 4s2n by Molmil
OXA-48 in complex with Avibactam at pH 8.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
5FAS
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BU of 5fas by Molmil
OXA-48 in complex with FPI-1523
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
4S2K
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BU of 4s2k by Molmil
OXA-48 in complex with Avibactam at pH 7.5
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4S2P
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BU of 4s2p by Molmil
Crystal structure of unbound OXA-48
Descriptor: Beta-lactamase
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-01-21
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Mechanism of Avibactam-Mediated beta-Lactamase Inhibition.
ACS Infect Dis, 1, 2015
4U3T
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BU of 4u3t by Molmil
Crystal structure of the transpeptidase domain of Neisseria gonorrhoeae penicillin-binding protein 2 derived from the penicillin-resistant strain 6140
Descriptor: Penicillin-binding protein 2
Authors:Fedarovich, A, Davies, C.
Deposit date:2014-07-22
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Effect of the Asp345a Insertion in Penicillin-Binding Protein 2 from Penicillin-Resistant Strains of Neisseria gonorrhoeae.
Biochemistry, 53, 2014
7T7G
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BU of 7t7g by Molmil
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
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
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
7T7F
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BU of 7t7f by Molmil
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
5KZH
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BU of 5kzh by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51
Descriptor: ACETATE ION, Beta-lactamase, FORMIC ACID
Authors:June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
5L2F
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BU of 5l2f by Molmil
High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D 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, ACETATE ION, Beta-lactamase, ...
Authors:June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T.
Deposit date:2016-08-01
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
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
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

221051

数据于2024-06-12公开中

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