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5OSY
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BU of 5osy by Molmil
Human Decapping Scavenger enzyme (hDcpS) in complex with m7G(5'S)ppSp(5'S)G mRNA 5' cap analog
分子名称: GLYCEROL, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid, m7GpppX diphosphatase
著者Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2017-08-18
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
5OSX
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BU of 5osx by Molmil
Translation initiation factor 4E in complex with m7G(5'S)ppp(5'S)G mRNA 5' cap analog
分子名称: Eukaryotic translation initiation factor 4E, POTASSIUM ION, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid
著者Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2017-08-18
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 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
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
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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BU of 5qb3 by Molmil
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
5QAA
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BU of 5qaa by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 6a
分子名称: 1,2-ETHANEDIOL, 3-(2-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 (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
5QAU
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BU of 5qau by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 26a
分子名称: 1,2-ETHANEDIOL, 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)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 (1.75 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
5QA9
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BU of 5qa9 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 5
分子名称: 1,2-ETHANEDIOL, 3-[3-(hydroxymethyl)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 (1.9 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
5QAL
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BU of 5qal by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 11b
分子名称: 1,2-ETHANEDIOL, 3-(4-aminocarbonylphenyl)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
5QB4
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BU of 5qb4 by Molmil
OXA-48 IN COMPLEX WITH SUBSTRATE IMIPENEM
分子名称: (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, ...
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
5QA5
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BU of 5qa5 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 3b
分子名称: 1,2-ETHANEDIOL, 3-(3-methylphenyl)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
5QAQ
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OXA-48 IN COMPLEX WITH COMPOUND 21b
分子名称: 1,2-ETHANEDIOL, 3-(4-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 (2.4 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
5QAE
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BU of 5qae by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8b
分子名称: 1,2-ETHANEDIOL, 3-(3-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 (2.1 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
5QAV
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BU of 5qav by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 26b
分子名称: 1,2-ETHANEDIOL, 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)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 (1.72 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
5QAD
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BU of 5qad by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 8a
分子名称: 1,2-ETHANEDIOL, 3-(2-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 (1.75 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
5QAT
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BU of 5qat by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 24
分子名称: 1,2-ETHANEDIOL, 3-[3-(acetyloxymethyl)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 (1.9 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
5QA8
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BU of 5qa8 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 4c
分子名称: 3-(4-hydroxyphenyl)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 (2.5 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
5QAK
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BU of 5qak by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 14
分子名称: 1,2-ETHANEDIOL, 3-[3-(dimethylamino)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 (1.9 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
5QB1
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BU of 5qb1 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 36
分子名称: 1,2-ETHANEDIOL, 3,5-bis(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 (1.8 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
5QA4
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BU of 5qa4 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 3a
分子名称: 1,2-ETHANEDIOL, 3-(2-methylphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A.
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
5QAO
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BU of 5qao by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 19b
分子名称: 1,2-ETHANEDIOL, 3-[4-(methylsulfonylaminomethyl)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 (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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