PDB: 674 件ウェブページステータス検索Chemie searchBIRD

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5AI6	ligand complex structure of soluble epoxide hydrolase 分子名称: 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AI5	ligand complex structure of soluble epoxide hydrolase 分子名称: 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AI9	ligand complex structure of soluble epoxide hydrolase 分子名称: 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AIC	ligand complex structure of soluble epoxide hydrolase 分子名称: 7-methyl-2H-1,4-benzothiazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AIB	ligand complex structure of soluble epoxide hydrolase 分子名称: 6-chloro-2H-1,4-benzoxazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AI4	ligand complex structure of soluble epoxide hydrolase 分子名称: 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AI8	ligand complex structure of soluble epoxide hydrolase 分子名称: 6-methyl-1,3-benzothiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-12 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5AI0	Ligand complex structure of soluble epoxide hydrolase 分子名称: 4-PHENYL-1,2,5-OXADIAZOL-3-AMINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-11 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
4Y2T	Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol 分子名称: 3-[4-(benzyloxy)phenyl]propan-1-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2S	Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol 分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2V	Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid 分子名称: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2Q	Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine 分子名称: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2R	Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile 分子名称: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2X	Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol 分子名称: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2Y	Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine 分子名称: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2U	Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate 分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2J	Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine 分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
4Y2P	Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine 分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
5AHX	Apo structure of soluble epoxide hydrolase 分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-02-10 公開日 2015-05-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
3X3H	Crystal Structure of the Manihot esculenta Hydroxynitrile Lyase (MeHNL) 3KP (K176P, K199P, K224P) triple mutant 分子名称: (S)-hydroxynitrile lyase 著者 Cielo, C.B.C, Yamane, T, Asano, Y, Dadashipour, M, Suzuki, A, Mizushima, T, Komeda, H, Okazaki, S. 登録日 2015-01-21 公開日 2016-03-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Crystallographic Studies of Manihot esculenta hydroxynitrile lyase Lysine-to-Proline mutants TO BE PUBLISHED
4X6X	Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative 分子名称: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 著者 Chiyo, N, Takai, K, Ishii, T. 登録日 2014-12-09 公開日 2015-04-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4X6Y	Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative 分子名称: 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Bifunctional epoxide hydrolase 2 著者 Chiyo, N, Takai, K, Ishii, T. 登録日 2014-12-09 公開日 2015-04-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4X00	X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia 分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, GLYCEROL, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-11-20 公開日 2014-12-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia to be published
3WZL	ZEN lactonase 分子名称: Zearalenone hydrolase 著者 Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T. 登録日 2014-10-01 公開日 2014-11-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea RSC ADV, 4, 2014
3WZM	ZEN lactonase mutant complex 分子名称: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Zearalenone hydrolase 著者 Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T. 登録日 2014-10-01 公開日 2014-11-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea RSC ADV, 4, 2014

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