6UJ0
 
 | | Unbound BACE2 mutant structure | | 分子名称: | Beta-secretase 2, unidentified polypeptide | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-10-01 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6WPV
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3ELJ
 | | Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor. | | 分子名称: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8 | | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J. | | 登録日 | 2008-09-22 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
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6UJ1
 | | BACE2 mutant in complex with a macrocyclic compound | | 分子名称: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-10-02 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6XQW
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6XEH
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2IH0
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5NWZ
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6AWK
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4RHR
 | | Crystal structure of PltB | | 分子名称: | ACETATE ION, Putative pertussis-like toxin subunit | | 著者 | Gao, X, Wang, J, Galan, J. | | 登録日 | 2014-10-02 | | 公開日 | 2014-10-29 | | 最終更新日 | 2014-12-17 | | 実験手法 | X-RAY DIFFRACTION (2.079 Å) | | 主引用文献 | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
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4RHS
 | | Crystal structure of GD2 bound PltB | | 分子名称: | ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit | | 著者 | Gao, X, Wang, J, Galan, J. | | 登録日 | 2014-10-02 | | 公開日 | 2014-10-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9211 Å) | | 主引用文献 | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
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6AZG
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6B9B
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5NUD
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | 分子名称: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6AXI
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | 分子名称: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6VPV
 | | Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y. | | 登録日 | 2020-02-04 | | 公開日 | 2021-08-04 | | 最終更新日 | 2021-09-08 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | The structure of photosystem I from a high-light tolerant Cyanobacteria.
Elife, 10, 2021
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5IR6
 | | The structure of bd oxidase from Geobacillus thermodenitrificans | | 分子名称: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | 著者 | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | | 登録日 | 2016-03-12 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
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1MFT
 | | Crystal Structure Of Four-Helix Bundle Model | | 分子名称: | Four-helix bundle model, ZINC ION | | 著者 | Lahr, S.J, Stayrook, S.E, North, B, Kaplan, J, Geremia, S, DeGrado, W. | | 登録日 | 2002-08-13 | | 公開日 | 2004-01-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
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6AZF
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | 分子名称: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6AWM
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5DOQ
 | | The structure of bd oxidase from Geobacillus thermodenitrificans | | 分子名称: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | 著者 | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | | 登録日 | 2015-09-11 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
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4BP1
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine | | 分子名称: | 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | 著者 | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | | 登録日 | 2013-05-23 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
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