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PDB: 61 件
5QAH
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BU of 5qah by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 9b
分子名称: 1,2-ETHANEDIOL, 3-(3-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 (1.95 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
5QAZ
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OXA-48 IN COMPLEX WITH COMPOUND 34
分子名称: 1,2-ETHANEDIOL, 3-(1~{H}-indol-5-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 (2.2 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
5QAF
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BU of 5qaf by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8c
分子名称: 1,2-ETHANEDIOL, 3-(4-fluorophenyl)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 (2.15 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
5QAR
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BU of 5qar by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 23a
分子名称: 3-[3-(2-acetamidoethyl)phenyl]benzoic 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 (2.1 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
5QA7
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BU of 5qa7 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 4b
分子名称: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)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 (1.82 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
5QAP
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BU of 5qap by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 21a
分子名称: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)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 (1.79 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
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
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
8CQG
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BU of 8cqg by Molmil
Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis
分子名称: 1,2-ETHANEDIOL, Alpha-amylase, CALCIUM ION, ...
著者Skagseth, S, Lund, B.A, Griese, J.J, van der Ent, F, Aqvist, J.
登録日2023-03-06
公開日2023-06-21
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
8CQF
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BU of 8cqf by Molmil
Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis Complexed with Rearranged Acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Skagseth, S, Griese, J.J, Lund, B.A, van der Ent, F, Aqvist, J.
登録日2023-03-06
公開日2023-06-21
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
8Q1T
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BU of 8q1t by Molmil
X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739
分子名称: 1,10-PHENANTHROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Cederfelt, D, Lund, B.A, Boronat, P, Hennig, S, Dobritzsch, D, Danielson, U.H.
登録日2023-08-01
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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件を2024-08-21に公開中

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