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5QAB
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BU of 5qab by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 6b
Descriptor: 1,2-ETHANEDIOL, 3-(3-methoxyphenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAN
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BU of 5qan by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 19a
Descriptor: 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QB2
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BU of 5qb2 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 38
Descriptor: 1,2-ETHANEDIOL, 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAH
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BU of 5qah by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 9b
Descriptor: 1,2-ETHANEDIOL, 3-(3-methoxycarbonylphenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAZ
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BU of 5qaz by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 34
Descriptor: 1,2-ETHANEDIOL, 3-(1~{H}-indol-5-yl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QA6
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BU of 5qa6 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 4a
Descriptor: 1,2-ETHANEDIOL, 3-(2-hydroxyphenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAS
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BU of 5qas by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 23b
Descriptor: 1,2-ETHANEDIOL, 3-[4-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAJ
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BU of 5qaj by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 13
Descriptor: 1,2-ETHANEDIOL, 3-(4-aminophenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAY
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BU of 5qay by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 32
Descriptor: 1,2-ETHANEDIOL, 3-(1-methylpyrrol-2-yl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QA7
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BU of 5qa7 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 4b
Descriptor: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAP
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BU of 5qap by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 21a
Descriptor: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAF
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BU of 5qaf by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8c
Descriptor: 1,2-ETHANEDIOL, 3-(4-fluorophenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAR
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BU of 5qar by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 23a
Descriptor: 3-[3-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
6C78
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BU of 6c78 by Molmil
Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis
Descriptor: Beta-lactamase Toho-1
Authors:Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C79
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BU of 6c79 by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
5OAU
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BU of 5oau by Molmil
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
Descriptor: Penicillin-binding protein 2X
Authors:Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2017-06-23
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
5OJ1
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BU of 5oj1 by Molmil
Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide
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, Penicillin-binding protein 2X, SODIUM ION
Authors:Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2017-07-20
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
5OIZ
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BU of 5oiz by Molmil
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in 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, Penicillin-binding protein 2X
Authors:Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2017-07-20
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
5OJ0
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BU of 5oj0 by Molmil
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with Cefepime
Descriptor: Cefepime, Penicillin-binding protein 2X
Authors:Bernardo-Garcia, N, Hermoso, J.A.
Deposit date:2017-07-20
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Allostery, Recognition of Nascent Peptidoglycan, and Cross-linking of the Cell Wall by the Essential Penicillin-Binding Protein 2x of Streptococcus pneumoniae.
ACS Chem. Biol., 13, 2018
6GOA
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BU of 6goa by Molmil
Structural basis for OXA-48 dimerization - R189A mutant
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Thomassen, A.M, Leiros, H.K.S.
Deposit date:2018-06-01
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6B22
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BU of 6b22 by Molmil
Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION
Authors:van den Akker, F, Nguyen, N.Q.
Deposit date:2017-09-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6MKF
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BU of 6mkf by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
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, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKH
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BU of 6mkh by Molmil
Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form
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, PHOSPHATE ION, pencillin binding protein 4 (PBP4)
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018

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