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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
2ISA
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BU of 2isa by Molmil
Crystal Structure of Vibrio salmonicida catalase
Descriptor: CHLORIDE ION, Catalase, GLYCEROL, ...
Authors:Riise, E.K, Lorentzen, M.S, Helland, R, Smalas, A.O, Leiros, H.K.S, Willassen, N.P.
Deposit date:2006-10-17
Release date:2007-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The first structure of a cold-active catalase from Vibrio salmonicida at 1.96A reveals structural aspects of cold adaptation
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2IUC
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BU of 2iuc by Molmil
Structure of alkaline phosphatase from the Antarctic bacterium TAB5
Descriptor: ALKALINE PHOSPHATASE, CACODYLATE ION, MAGNESIUM ION, ...
Authors:Wang, E, Koutsioulis, D, Leiros, H.K.S, Andersen, O.A, Bouriotis, V, Hough, E, Heikinheimo, P.
Deposit date:2006-06-01
Release date:2006-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Alkaline Phosphatase from the Antarctic Bacterium Tab5.
J.Mol.Biol., 366, 2007
5ACX
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BU of 5acx by Molmil
VIM-2-2, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: 2-(4-fluorophenyl)carbonylbenzoic acid, BETA-LACTAMASE, CHLORIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACW
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BU of 5acw by Molmil
VIM-2-1, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, BETA-LACTAMASE, CHLORIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACV
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BU of 5acv by Molmil
VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACU
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BU of 5acu by Molmil
VIM-2-NAT, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
Descriptor: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5OE2
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BU of 5oe2 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245
Descriptor: Beta-lactamase, CHLORIDE ION, SODIUM ION
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OE0
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BU of 5oe0 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.0500083 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5ODZ
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BU of 5odz by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
Descriptor: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6RAS
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BU of 6ras by Molmil
Pmar-Lig_Pre.
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA, ...
Authors:Leiros, H.K.S, Williamson, A.
Deposit date:2019-04-07
Release date:2019-07-10
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6RAR
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BU of 6rar by Molmil
Pmar-Lig_PreS3-Mn
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
Authors:Leiros, H.K.S, Williamson, A.
Deposit date:2019-04-07
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6RAU
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BU of 6rau by Molmil
PostS3_Pmar_lig4_WT
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), ...
Authors:Leiros, H.K.S, Williamson, A.
Deposit date:2019-04-08
Release date:2019-07-10
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6RCE
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BU of 6rce by Molmil
Pmar-Lig_PreS3
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
Authors:Leiros, H.K.S, Williamson, A.
Deposit date:2019-04-11
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6GDR
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BU of 6gdr by Molmil
DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases
Descriptor: ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
Authors:Williamson, A, Grigic, M, Leiros, H.K.S.
Deposit date:2018-04-24
Release date:2018-07-25
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Nucleic Acids Res., 46, 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
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
Deposit date:2018-12-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
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
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
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
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

 

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