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6VBL
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BU of 6vbl by Molmil
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6W5E
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BU of 6w5e by Molmil
Class D beta-lactamase BSU-2
Descriptor: 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 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., 2023
6W5O
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BU of 6w5o by Molmil
Class D beta-lactamase BAT-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BAT-2 Beta-lactamase delta mutant, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6W5F
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BU of 6w5f by Molmil
Class D beta-lactamase BSU-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6W5G
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BU of 6w5g by Molmil
Class D beta-lactamase BAT-2
Descriptor: 1,2-ETHANEDIOL, BAT-2 beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 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., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
Authors:Zhou, Q, Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 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., 2023
7O5Q
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BU of 7o5q by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Oxacillin
Descriptor: (2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid, (2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid, 1-BUTANOL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Oxacillin
To Be Published
6WY4
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BU of 6wy4 by Molmil
Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM 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:2020-05-12
Release date:2020-05-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
To Be Published
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 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., 2023
6WHL
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BU of 6whl by Molmil
The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
Descriptor: Beta-lactamase, GLYCEROL
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-08
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
To Be Published
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
3PAE
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BU of 3pae by Molmil
Crystal structure of the K84D mutant of OXA-24/40 in complex with 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, Beta-lactamase, SULFATE ION
Authors:Powers, R.A, Leonard, D.A, Schneider, K.D.
Deposit date:2010-10-19
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
3UPP
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BU of 3upp by Molmil
Structure of penicillin-binding protein A from M. tuberculosis: ceftrixaone acyl-enzyme complex
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Davies, C, Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 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
3PAG
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BU of 3pag by Molmil
Crystal structure of the V130D mutant of OXA-24/40 in complex with 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, Beta-lactamase, SULFATE ION
Authors:Powers, R.A, Leonard, D.A, Schneider, K.D.
Deposit date:2010-10-19
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
3UPN
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BU of 3upn by Molmil
Structure of penicillin-binding protein A from M. tuberculosis: imipenem acyl-enzyme 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, Penicillin-binding protein A
Authors:Davies, C, Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 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
3UY6
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BU of 3uy6 by Molmil
BlaR1 sensor domain from Staphylococcus aureus with N439V mutation
Descriptor: GLYCEROL, Regulatory protein BlaR1, SULFATE ION
Authors:Baker, B.M, Borbulevych, O.Y.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An amino acid position at crossroads of evolution of protein function: antibiotic sensor domain of BlaR1 protein from Staphylococcus aureus versus clasS D beta-lactamases
J.Biol.Chem., 287, 2012
3UPO
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BU of 3upo by Molmil
Structure of penicillin-binding protein A from M. tuberculosis: penicillin G acyl-enzyme complex
Descriptor: OPEN FORM - PENICILLIN G, Penicillin-binding protein A
Authors:Davies, C, Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 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
3Q82
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BU of 3q82 by Molmil
Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
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-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q81
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BU of 3q81 by Molmil
Imipenem acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-20
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3QNC
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BU of 3qnc by Molmil
Crystal Structure of a Rationally Designed OXA-10 Variant Showing Carbapenemase Activity, OXA-10loop48
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, Oxacillinase, ...
Authors:De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
Deposit date:2011-02-08
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q7V
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BU of 3q7v by Molmil
Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated Lys392
Descriptor: Beta-lactamase regulatory protein BlaR1, GLYCEROL, SULFATE ION
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-06-29
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011

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