6HU1
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | | 分子名称: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-09-28 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTI
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | | 分子名称: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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5F8B
 | | Crystallographic Structure of PsoE with Co | | 分子名称: | (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, COBALT (II) ION, GLUTATHIONE, ... | | 著者 | Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K. | | 登録日 | 2015-12-09 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 55, 2016
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6HTT
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | 分子名称: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | 著者 | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | 登録日 | 2018-10-01 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HSZ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2 | | 分子名称: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ... | | 著者 | Marek, M, Shaik, T.B, Romier, C. | | 登録日 | 2018-10-02 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.374 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | 分子名称: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | | 主引用文献 | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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2DE0
 | | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 | | 分子名称: | Alpha-(1,6)-fucosyltransferase | | 著者 | Taniguchi, N, Ihara, H, Nakagawa, A. | | 登録日 | 2006-02-07 | | 公開日 | 2006-12-26 | | 最終更新日 | 2020-03-25 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Crystal structure of mammalian {alpha}1,6-fucosyltransferase, FUT8
Glycobiology, 17, 2007
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8XHR
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6J3Z
 | | Structure of C2S1M1-type PSII-FCPII supercomplex from diatom | | 分子名称: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | | 登録日 | 2019-01-07 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Nat.Plants, 5, 2019
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6J3Y
 | | Structure of C2S2-type PSII-FCPII supercomplex from diatom | | 分子名称: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | | 登録日 | 2019-01-07 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Nat.Plants, 5, 2019
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6J40
 | | Structure of C2S2M2-type PSII-FCPII supercomplex from diatom | | 分子名称: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | | 登録日 | 2019-01-07 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Nat.Plants, 5, 2019
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5GHA
 | | Sulfur Transferase TtuA in complex with Sulfur Carrier TtuB | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Sulfur Carrier TtuB, ... | | 著者 | Chen, M, Narai, S, Tanaka, Y, Yao, M. | | 登録日 | 2016-06-19 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5H47
 | | Crystal structure of AOL complexed with 2-MeSe-Fuc | | 分子名称: | Uncharacterized protein, methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside | | 著者 | Kato, R, Nishikawa, Y, Makyio, H. | | 登録日 | 2016-10-31 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing
Bioorg. Med. Chem., 25, 2017
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6L4U
 | | Structure of the PSI-FCPI supercomplex from diatom | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | 登録日 | 2019-10-21 | | 公開日 | 2020-05-20 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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6L4T
 | | Structure of the peripheral FCPI from diatom | | 分子名称: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | 登録日 | 2019-10-21 | | 公開日 | 2020-05-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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8JF5
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440 | | 分子名称: | 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Fukushima, H, Machida, T, Yamashita, S, Suzuki, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
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6LVL
 | | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | | 分子名称: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | | 著者 | Echizen, Y, Tateishi, Y, Amano, Y. | | 登録日 | 2020-02-04 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
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6LVM
 | | Crystal structure of FGFR3 in complex with pyrimidine derivative | | 分子名称: | 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide, Fibroblast growth factor receptor 3 | | 著者 | Echizen, Y, Tateishi, Y, Amano, Y. | | 登録日 | 2020-02-04 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
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6LVK
 | | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | | 分子名称: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | | 著者 | Echizen, Y, Amano, Y, Tateishi, Y. | | 登録日 | 2020-02-04 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
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6N2Y
 | | Bacillus PS3 ATP synthase class 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Guo, H, Rubinstein, J.L. | | 登録日 | 2018-11-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of a bacterial ATP synthase.
Elife, 8, 2019
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6N2D
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6N2Z
 | | Bacillus PS3 ATP synthase class 2 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Guo, H, Rubinstein, J.L. | | 登録日 | 2018-11-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of a bacterial ATP synthase.
Elife, 8, 2019
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6N30
 | | Bacillus PS3 ATP synthase class 3 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Guo, H, Rubinstein, J.L. | | 登録日 | 2018-11-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of a bacterial ATP synthase.
Elife, 8, 2019
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