5QB0
 
 | | OXA-48 IN COMPLEX WITH COMPOUND 35 | | 分子名称: | 1,2-ETHANEDIOL, 3-pyridin-2-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 (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
|
|
5QAB
 | | OXA-48 IN COMPLEX WITH COMPOUND 6b | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-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 (2.15 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
|
|
5QAN
 | | OXA-48 IN COMPLEX WITH COMPOUND 19a | | 分子名称: | 3-[3-(methylsulfonylaminomethyl)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 (2.3 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
|
|
5QB2
 | | OXA-48 IN COMPLEX WITH COMPOUND 38 | | 分子名称: | 1,2-ETHANEDIOL, 3-quinolin-6-yl-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 (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
|
|
5QAH
 | | 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
 | | 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
|
|
5QA6
 | | OXA-48 IN COMPLEX WITH COMPOUND 4a | | 分子名称: | 1,2-ETHANEDIOL, 3-(2-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 (1.95 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
|
|
5QAS
 | | OXA-48 IN COMPLEX WITH COMPOUND 23b | | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(2-acetamidoethyl)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
|
|
5QAJ
 | | OXA-48 IN COMPLEX WITH COMPOUND 13 | | 分子名称: | 1,2-ETHANEDIOL, 3-(4-aminophenyl)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
|
|
5QAY
 | | OXA-48 IN COMPLEX WITH COMPOUND 32 | | 分子名称: | 1,2-ETHANEDIOL, 3-(1-methylpyrrol-2-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 (1.7 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
 | | 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
 | | 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
|
|
5QAF
 | | 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
 | | 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
|
|
7R4B
 | |
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
|
|
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
|
|
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
|
|
5FFT
 | | Crystal Structure of Surfactant Protein-A Y221A Mutant | | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein A | | 著者 | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | | 登録日 | 2015-12-18 | | 公開日 | 2016-07-06 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
|
|
5FFR
 | | Crystal Structure of Surfactant Protein-A complexed with phosphocholine | | 分子名称: | CALCIUM ION, PHOSPHOCHOLINE, Pulmonary surfactant-associated protein A, ... | | 著者 | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | | 登録日 | 2015-12-18 | | 公開日 | 2016-07-06 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
|
|
5FFS
 | | Crystal Structure of Surfactant Protein-A Y164A Mutant | | 分子名称: | CALCIUM ION, Pulmonary surfactant-associated protein A | | 著者 | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | | 登録日 | 2015-12-18 | | 公開日 | 2016-07-06 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
|
|
5FMW
 | | The poly-C9 component of the Complement Membrane Attack Complex | | 分子名称: | POLYC9 | | 著者 | Dudkina, N.V, Spicer, B.A, Reboul, C.F, Conroy, P.J, Lukoyanova, N, Elmlund, H, Law, R.H.P, Ekkel, S.M, Kondos, S.C, Goode, R.J.A, Ramm, G, Whisstock, J.C, Saibil, H.R, Dunstone, M.A. | | 登録日 | 2015-11-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | | 主引用文献 | Structure of the Poly-C9 Component of the Complement Membrane Attack Complex
Nat.Commun., 7, 2016
|
|
5FOY
 | | De novo structure of the binary mosquito larvicide BinAB at pH 7 | | 分子名称: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2019-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
|
|
5FOZ
 | | De novo structure of the binary mosquito larvicide BinAB at pH 10 | | 分子名称: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
|
|
7SBH
 | | Crystal structure of the iron superoxide dismutase from Acinetobacter sp. Ver3 | | 分子名称: | FE (III) ION, FLAVIN MONONUCLEOTIDE, Superoxide dismutase | | 著者 | Steimbruch, B.A, Albanesi, D, Repizo, G.D, Lisa, M.N. | | 登録日 | 2021-09-24 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3.
Sci Rep, 12, 2022
|
|
