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5QAG
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BU of 5qag by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 9a
Descriptor: 1,2-ETHANEDIOL, 3-(2-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 (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
5QAW
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BU of 5qaw by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 27
Descriptor: 3-naphthalen-2-ylbenzoic 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 (2.2 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
5QAI
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BU of 5qai by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 12a
Descriptor: 1,2-ETHANEDIOL, 3-(3-methylsulfonylphenyl)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
5QAX
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BU of 5qax by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 28
Descriptor: 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic 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 (2.31 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
5QAC
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BU of 5qac by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 6c
Descriptor: 1,2-ETHANEDIOL, 3-(4-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 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
5QAM
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BU of 5qam by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 17
Descriptor: 1,2-ETHANEDIOL, 3-[4-(methylsulfonylamino)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 (1.87 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
5QAA
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BU of 5qaa by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 6a
Descriptor: 1,2-ETHANEDIOL, 3-(2-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 (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
5QB3
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BU of 5qb3 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 40
Descriptor: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-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 (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
5QAU
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BU of 5qau by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 26a
Descriptor: 1,2-ETHANEDIOL, 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)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 (1.75 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
5QA9
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BU of 5qa9 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 5
Descriptor: 1,2-ETHANEDIOL, 3-[3-(hydroxymethyl)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
5QAL
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BU of 5qal by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 11b
Descriptor: 1,2-ETHANEDIOL, 3-(4-aminocarbonylphenyl)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
5QB4
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BU of 5qb4 by Molmil
OXA-48 IN COMPLEX WITH SUBSTRATE 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, 1,2-ETHANEDIOL, 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
5QA5
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BU of 5qa5 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 3b
Descriptor: 1,2-ETHANEDIOL, 3-(3-methylphenyl)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
5QAQ
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BU of 5qaq by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 21b
Descriptor: 1,2-ETHANEDIOL, 3-(4-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 (2.4 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
5QAE
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BU of 5qae by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8b
Descriptor: 1,2-ETHANEDIOL, 3-(3-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 (2.1 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
5QAV
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BU of 5qav by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 26b
Descriptor: 1,2-ETHANEDIOL, 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)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 (1.72 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
5QAD
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BU of 5qad by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8a
Descriptor: 1,2-ETHANEDIOL, 3-(2-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 (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
5QA8
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BU of 5qa8 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 4c
Descriptor: 3-(4-hydroxyphenyl)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 (2.5 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
5QAK
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BU of 5qak by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 14
Descriptor: 1,2-ETHANEDIOL, 3-[3-(dimethylamino)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
5QAT
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BU of 5qat by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 24
Descriptor: 1,2-ETHANEDIOL, 3-[3-(acetyloxymethyl)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
5QB1
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BU of 5qb1 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 36
Descriptor: 1,2-ETHANEDIOL, 3,5-bis(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 (1.8 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
5QA4
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BU of 5qa4 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 3a
Descriptor: 1,2-ETHANEDIOL, 3-(2-methylphenyl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A.
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
5QAO
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BU of 5qao by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 19b
Descriptor: 1,2-ETHANEDIOL, 3-[4-(methylsulfonylaminomethyl)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 (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
5QB0
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BU of 5qb0 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 35
Descriptor: 1,2-ETHANEDIOL, 3-pyridin-2-ylbenzoic 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
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

 

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數據於2024-04-17公開中

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