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7ODA
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BU of 7oda by Molmil
OXA-48-like Beta-lactamase OXA-436
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S.
登録日2021-04-29
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献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
分子名称: CHLORIDE ION, Catalase, GLYCEROL, ...
著者Riise, E.K, Lorentzen, M.S, Helland, R, Smalas, A.O, Leiros, H.K.S, Willassen, N.P.
登録日2006-10-17
公開日2007-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: ALKALINE PHOSPHATASE, CACODYLATE ION, MAGNESIUM ION, ...
著者Wang, E, Koutsioulis, D, Leiros, H.K.S, Andersen, O.A, Bouriotis, V, Hough, E, Heikinheimo, P.
登録日2006-06-01
公開日2006-11-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 2-(4-fluorophenyl)carbonylbenzoic acid, BETA-LACTAMASE, CHLORIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, BETA-LACTAMASE, CHLORIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献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
分子名称: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.0500083 Å)
主引用文献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
分子名称: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
著者Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
登録日2017-07-07
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献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.
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA, ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-07
公開日2019-07-10
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
分子名称: 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'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-08
公開日2019-07-10
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
分子名称: 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'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-07
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献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
分子名称: 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'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-11
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献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
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
著者Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
登録日2018-12-07
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 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
分子名称: 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'), ...
著者Williamson, A, Grigic, M, Leiros, H.K.S.
登録日2018-04-24
公開日2018-07-25
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献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
分子名称: Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Thomassen, A.M, Leiros, H.K.S.
登録日2018-06-01
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
分子名称: Beta-lactamase
著者Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
登録日2017-07-11
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-(3-methylsulfonylphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxycarbonylphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 3-naphthalen-2-ylbenzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-[4-(methylsulfonylamino)phenyl]benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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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OXA-48 IN COMPLEX WITH COMPOUND 40
分子名称: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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