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6AFD
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DJ-1 with compound 6
分子名称: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
3MNJ
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Human Carbonic Anhydrase II Mutant K170E
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION
著者Domsic, J.F, McKenna, R.
登録日2010-04-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3MNU
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Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Di Fiore, A, De Simone, G.
登録日2010-04-22
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorg.Med.Chem.Lett., 20, 2010
5ZQT
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BU of 5zqt by Molmil
Crystal structure of Oryza sativa hexokinase 6
分子名称: Hexokinase-6, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Matsudaira, K, Mochizuki, S, Yoshida, H, Kamitori, S, Akimitsu, K.
登録日2018-04-20
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of Oryza sativa hexokinase 6
To Be Published
3LZW
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BU of 3lzw by Molmil
Crystal structure of ferredoxin-NADP+ oxidoreductase from bacillus subtilis (form I)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Komori, H, Seo, D, Sakurai, T, Higuchi, Y.
登録日2010-03-02
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of Bacillus subtilis ferredoxin-NADP(+) oxidoreductase and the structural basis for its substrate selectivity
Protein Sci., 19, 2010
3M3Y
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RNA polymerase II elongation complex C
分子名称: DNA (28-MER), DNA (5'-D(*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Zhu, G, Huang, X, Lippard, S.J.
登録日2010-03-10
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M8R
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BU of 3m8r by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-ethylated dTTP
分子名称: 4'-ethylthymidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Diederichs, K, Marx, A, Betz, K.
登録日2010-03-19
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of DNA polymerases caught processing size-augmented nucleotide probes.
Angew.Chem.Int.Ed.Engl., 49, 2010
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
分子名称: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
著者Wang, Y.Y, Shan, S, Zhou, Z.
登録日2018-08-03
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
6AFC
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DJ-1 with compound 4
分子名称: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6A1Y
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Charcot-Leyden crystal protein/Galectin-10 variant Y35A
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
3MEA
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Crystal structure of the SGF29 in complex with H3K4me3
分子名称: Histone H3, SAGA-associated factor 29 homolog
著者Bian, C, Xu, C, Tempel, W, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
6A47
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Structure of TREX2 in complex with a Y structured dsDNA
分子名称: DNA (5'-D(P*CP*CP*AP*GP*GP*CP*CP*CP*TP*CP*TP*AP*GP*GP*GP*CP*CP*TP*T)-3'), MAGNESIUM ION, SODIUM ION, ...
著者Hsiao, Y.Y.
登録日2018-06-19
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the duplex DNA processing of TREX2
Nucleic Acids Res., 46, 2018
3MBY
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Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer
分子名称: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H.
登録日2010-03-26
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site.
Nat.Struct.Mol.Biol., 17, 2010
3ME9
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BU of 3me9 by Molmil
Crystal structure of SGF29 in complex with H3K4me3 peptide
分子名称: GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ...
著者Bian, C, Tempel, W, Xu, C, Guo, Y, Dong, A, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
分子名称: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
3MHI
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BU of 3mhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide
分子名称: 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-04-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MI9
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Crystal structure of HIV-1 Tat complexed with human P-TEFb
分子名称: Cell division protein kinase 9, Cyclin-T1, Protein Tat, ...
著者Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H.
登録日2010-04-09
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
6A18
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Crystal structure of CYP90B1 in complex with 1,6-hexandiol
分子名称: CHLORIDE ION, Cytochrome P450 90B1, GLYCEROL, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
5ZRO
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BU of 5zro by Molmil
M. smegmatis antimutator protein MutT2 in complex with 5mdCTP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZZ9
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Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
分子名称: Homer protein homolog 2, Peptide from Drebrin
著者Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
登録日2018-05-31
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
6A1V
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Charcot-Leyden crystal protein/Galectin-10 variant E33Q
分子名称: Galectin-10
著者Su, J.
登録日2018-06-08
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
6A60
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Crystal structure of human FXR/RXR-LBD heterodimer bound to GW4064 and 9cRA and SRC1
分子名称: (9cis)-retinoic acid, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, ...
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6AF7
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DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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DJ-1 with compound 11
分子名称: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AIM
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Cab2 mutant H337A complex with phosphopantothenate-cysteine
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019

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件を2024-10-16に公開中

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