6GOA
 
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7ODA
 | | 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
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5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | 分子名称: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.60000241 Å) | | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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4Z84
 | | PKAB3 in complex with pyrrolidine inhibitor 34a | | 分子名称: | 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Lund, B.A, Alam, K.A, Engh, R.A. | | 登録日 | 2015-04-08 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.554 Å) | | 主引用文献 | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
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4Z83
 | | PKAB3 in complex with pyrrolidine inhibitor 47a | | 分子名称: | 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Lund, B.A, Alam, K.A, Engh, R.A. | | 登録日 | 2015-04-08 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
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8OWO
 | | SMYD3 in complex with fragment FL01507 | | 分子名称: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2023-04-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
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7QLB
 | | SMYD3 in complex with fragment FL06268 | | 分子名称: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2021-12-20 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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7QNU
 | | SMYD3 in complex with fragment FL08619 | | 分子名称: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2021-12-22 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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7QNR
 | | SMYD3 in complex with fragment FL01791 | | 分子名称: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | 登録日 | 2021-12-22 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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7R1K
 | | Phosphorylated Bacillus pumilus Lipase A | | 分子名称: | DIETHYL PHOSPHONATE, Lipase, OXALOACETATE ION | | 著者 | Lund, B.A. | | 登録日 | 2022-02-03 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure and Mechanism of a Cold-Adapted Bacterial Lipase
Biochemistry, 61, 2022
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7R25
 | | Bacillus pumilus Lipase A | | 分子名称: | CITRIC ACID, Lipase, PHOSPHATE ION, ... | | 著者 | Lund, B.A. | | 登録日 | 2022-02-04 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.87 Å) | | 主引用文献 | Structure and Mechanism of a Cold-Adapted Bacterial Lipase
Biochemistry, 61, 2022
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7R4B
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2WHZ
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2WI0
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5DVA
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5DTT
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ... | | 著者 | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.10000539 Å) | | 主引用文献 | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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5DTS
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5QAI
 | | 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
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5QAX
 | | 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
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5QAG
 | | 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
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5QAW
 | | 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
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5QAC
 | | 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
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5QAM
 | | 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
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5QB3
 | | 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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5QAA
 | | 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
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