8A7K
| PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | 著者 | Ecker, F, Boland, W, Groll, M. | 登録日 | 2022-06-21 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|
8A6V
| PcIDS1 in complex with Mg2+ and IPP | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | 著者 | Ecker, F, Boland, W, Groll, M. | 登録日 | 2022-06-20 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|
5ZZ0
| HUMAN GELSOLIN FROM RESIDUES GLU28 TO ARG161 WITH CALCIUM | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, Gelsolin | 著者 | Sharma, P, Badmalia, M, Yadav, S.P.S, Singh, S. | 登録日 | 2018-05-29 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.635 Å) | 主引用文献 | Bonsai Gelsolin Survives Heat Induced Denaturation by Forming beta-Amyloids which Leach Out Functional Monomer. Sci Rep, 8, 2018
|
|
7BUK
| T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E) | 分子名称: | CALCIUM ION, Lipase, ZINC ION | 著者 | Ishak, S.N.H, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C, Kamarudin, N.H.A. | 登録日 | 2020-04-07 | 公開日 | 2021-04-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | 主引用文献 | Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae. Plos One, 16, 2021
|
|
7QGL
| |
7NTB
| |
5ZYL
| Crystal structure of CERT START domain in complex with compound E25A | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | 登録日 | 2018-05-25 | 公開日 | 2019-02-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
|
|
7ZSL
| human purine nucleoside phosphorylase in complex with JS-196 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-07 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
7ZSM
| human purine nucleoside phosphorylase in complex with JS-375 | 分子名称: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-07 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
7QGA
| |
7ZSQ
| human purine nucleoside phosphorylase in complex with JS-555 | 分子名称: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
7ZSX
| |
7ZSR
| purine nucleoside phosphorylase in complex with JS-379 | 分子名称: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
7ZRX
| |
7ZSV
| |
7BUZ
| |
8A4M
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | 分子名称: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | 登録日 | 2022-06-13 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
|
|
8A7A
| PcIDS1 in complex with Mg2+ and 3-Br-GPP | 分子名称: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | 著者 | Ecker, F, Boland, W, Groll, M. | 登録日 | 2022-06-20 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|
7F1D
| Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | 分子名称: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | 著者 | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | 登録日 | 2021-06-09 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
|
|
8A65
| Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | 分子名称: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | 登録日 | 2022-06-16 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
|
|
7ZRW
| |
7ZS4
| |
7ZSN
| human purine nucleoside phosphorylase in complex with JS-379 | 分子名称: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-07 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
7ZSP
| human purine nucleoside phosphorylase in complex with JS-555 | 分子名称: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | 著者 | Djukic, S, Pachl, P, Rezacova, P. | 登録日 | 2022-05-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
|
|
8A7L
| PcIDS1 in complex with Mg2+, GPP, and ZOL | 分子名称: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | 著者 | Ecker, F, Boland, W, Groll, M. | 登録日 | 2022-06-21 | 公開日 | 2023-05-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
|
|