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5K4P
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BU of 5k4p by Molmil
Catalytic Domain of MCR-1 phosphoethanolamine transferase
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, sorbitol
Authors:Stojanoski, V, Palzkill, T, Prasad, B.V.V, Sankaran, B.
Deposit date:2016-05-21
Release date:2016-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Structure of the catalytic domain of the colistin resistance enzyme MCR-1.
Bmc Biol., 14, 2016
4RVA
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BU of 4rva by Molmil
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation
Descriptor: BICARBONATE ION, Beta-lactamase TEM
Authors:Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T.
Deposit date:2014-11-25
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4397 Å)
Cite:A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
4RX3
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BU of 4rx3 by Molmil
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Descriptor: Beta-lactamase TEM, CITRATE ANION
Authors:Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T.
Deposit date:2014-12-08
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
4S2M
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BU of 4s2m by Molmil
Crystal Structure of OXA-163 complexed with iodide in the active site
Descriptor: Beta-lactamase, IODIDE ION
Authors:Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4RX2
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BU of 4rx2 by Molmil
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis
Descriptor: Beta-lactamase TEM, SULFATE ION
Authors:Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T.
Deposit date:2014-12-08
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
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
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAQ
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BU of 5haq by Molmil
OXa-48 beta-lactamase mutant - S70G
Descriptor: Beta-lactamase, CADMIUM ION, FORMIC ACID
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5TWD
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BU of 5twd by Molmil
CTX-M-14 P167S apoenzyme
Descriptor: Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TWE
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BU of 5twe by Molmil
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TW6
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BU of 5tw6 by Molmil
CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule
Descriptor: 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-11
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5U53
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BU of 5u53 by Molmil
CTX-M-14 E166A with acylated ceftazidime molecule
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-12-06
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
7KHQ
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BU of 7khq by Molmil
Crystal structure of OXA-48 K73A in complex with meropenem
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, CHLORIDE ION, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-21
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
7KHY
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BU of 7khy by Molmil
Crystal structure of OXA-163 K73A in complex with meropenem
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, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-22
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
7KH9
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BU of 7kh9 by Molmil
Crystal structure of OXA-48 K73A in complex with imipenem
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, CHLORIDE ION
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-20
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
7KHZ
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BU of 7khz by Molmil
Crystal structure of OXA-163 K73A in complex with imipenem
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, CHLORIDE ION, ...
Authors:Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2020-10-22
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
6CYQ
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BU of 6cyq by Molmil
Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime
Descriptor: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL
Authors:Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
6CYN
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BU of 6cyn by Molmil
CTX-M-14 N106S/D240G mutant
Descriptor: Beta-lactamase
Authors:Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
6CYK
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BU of 6cyk by Molmil
CTX-M-14 N106S mutant
Descriptor: ACETATE ION, Beta-lactamase
Authors:Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
6CYU
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BU of 6cyu by Molmil
Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime
Descriptor: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
Authors:Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
Deposit date:2018-04-06
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
5VTH
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BU of 5vth by Molmil
CTX-M-14 P167S:E166A mutant
Descriptor: Beta-lactamase
Authors:Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017

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PDB entries from 2024-03-27

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