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7LQ6
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BU of 7lq6 by Molmil
CryoEM structure of Escherichia coli PBP1b
Descriptor: Penicillin-binding protein 1B
Authors:Caveney, N.A, Workman, S.D, Yan, R, Atkinson, C.E, Yu, Z, Strynadka, N.C.J.
Deposit date:2021-02-13
Release date:2021-05-26
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:CryoEM structure of the antibacterial target PBP1b at 3.3 angstrom resolution.
Nat Commun, 12, 2021
7LC4
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BU of 7lc4 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911
Descriptor: 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-09
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 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
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
6XV5
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BU of 6xv5 by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with ertapenem
Descriptor: L(+)-TARTARIC ACID, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.673 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
6TUD
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BU of 6tud by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2020-01-06
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
7KIS
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BU of 7kis by Molmil
Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA
Authors:Rajavel, M, van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.869 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-10-25
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7ASS
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BU of 7ass by Molmil
OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives Cryptic Evolution of OXA-48
Descriptor: Beta-lactamase, CHLORIDE ION, hydrolyzed ceftazidime
Authors:Frohlich, C, Leiros, H.-K.S.
Deposit date:2020-10-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations.
Msphere, 6, 2021
6TII
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BU of 6tii by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis
Descriptor: BROMIDE ION, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
6TIX
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BU of 6tix by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
Descriptor: 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
To Be Published
6YN0
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BU of 6yn0 by Molmil
Structure of E. coli PBP1b with a FtsN peptide activating transglycosylase activity
Descriptor: Cell division protein FtsN, MOENOMYCIN, Penicillin-binding protein 1B
Authors:Kerff, F, Terrak, M, Boes, A, Herman, H, Charlier, P.
Deposit date:2020-04-10
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The bacterial cell division protein fragment E FtsN binds to and activates the major peptidoglycan synthase PBP1b.
J.Biol.Chem., 295, 2020
6SYN
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BU of 6syn by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
Descriptor: (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-09-30
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
6T1H
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BU of 6t1h by Molmil
OXA-51-like beta-lactamase OXA-66
Descriptor: Beta-lactamase OXA-66, ZINC ION
Authors:Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E.
Deposit date:2019-10-04
Release date:2020-10-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the OXA-51-like beta-lactamase OXA-66
To Be Published
6XJ3
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BU of 6xj3 by Molmil
Crystal structure of Class D beta-lactamase from Klebsiella quasipneumoniae in complex with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Class D beta-lactamase from Klebsiella quasipneumoniae
To Be Published
6Y6Z
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BU of 6y6z by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1
Descriptor: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 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
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
6Y6U
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BU of 6y6u by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6
Descriptor: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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

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