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8C86
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Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2
分子名称: (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
8C85
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Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 1
分子名称: (3,5-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin
著者Poonsiri, T, Benini, S, Loconte, V, Cianci, M.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
7DDI
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Crystal structures of Na+,K+-ATPase in complex with digitoxin
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C.
登録日2020-10-29
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UG1
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BU of 6ug1 by Molmil
Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.-H.
登録日2019-09-25
公開日2021-03-31
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (2.833 Å)
主引用文献Impact of DNA sequences on DNA 'opening' by the Rad4/XPC nucleotide excision repair complex.
DNA Repair (Amst), 107, 2021
1NDD
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BU of 1ndd by Molmil
STRUCTURE OF NEDD8
分子名称: CHLORIDE ION, PROTEIN (UBIQUITIN-LIKE PROTEIN NEDD8), SULFATE ION
著者Whitby, F.G, Xia, G, Pickart, C.M, Hill, C.P.
登録日1998-08-21
公開日1999-02-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the human ubiquitin-like protein NEDD8 and interactions with ubiquitin pathway enzymes.
J.Biol.Chem., 273, 1998
3VRT
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BU of 3vrt by Molmil
VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3
分子名称: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K.
登録日2012-04-14
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
6UOG
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Asparaginase II from Escherichia coli
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
登録日2019-10-14
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
8FXF
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BU of 8fxf by Molmil
Crystal structure of the coiled-coil domain of TRIM56
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM56
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2023-01-24
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TRIM56 coiled-coil domain structure provides insights into its E3 ligase functions.
Comput Struct Biotechnol J, 21, 2023
3IJP
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BU of 3ijp by Molmil
Crystal structure of dihydrodipicolinate reductase from bartonella henselae at 2.0A resolution
分子名称: CHLORIDE ION, Dihydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-08-04
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of dihydrodipicolinate reductase from the human-pathogenic bacterium Bartonella henselae strain Houston-1 at 2.3 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5IFG
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BU of 5ifg by Molmil
Crystal structure of HigA-HigB complex from E. Coli
分子名称: Antitoxin HigA, mRNA interferase HigB
著者Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H.
登録日2016-02-26
公開日2017-03-01
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
4PTZ
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BU of 4ptz by Molmil
Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound form
分子名称: FLAVIN MONONUCLEOTIDE, FMN reductase SsuE, GLYCEROL, ...
著者Driggers, C.M, Ellis, H.R, Karplus, P.A.
登録日2014-03-11
公開日2014-06-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9007 Å)
主引用文献Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.
Biochemistry, 53, 2014
6UOD
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BU of 6uod by Molmil
Asparaginase II from Escherichia coli
分子名称: L-asparaginase 2
著者Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
登録日2019-10-14
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
3VIF
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BU of 3vif by Molmil
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with gluconolactone
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, CHLORIDE ION, ...
著者Jeng, W.Y, Liu, C.I, Wang, A.H.J.
登録日2011-10-03
公開日2012-07-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
8BZD
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BU of 8bzd by Molmil
deAc-FC stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZG
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BU of 8bzg by Molmil
FC-31 stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
3VOV
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BU of 3vov by Molmil
Crystal Structure of ROK Hexokinase from Thermus thermophilus
分子名称: GLYCEROL, Glucokinase, ZINC ION
著者Nakamura, T, Kashima, Y, Mine, S, Oku, T, Uegaki, K.
登録日2012-02-21
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Characterization and crystal structure of the thermophilic ROK hexokinase from Thermus thermophilus
J.Biosci.Bioeng., 2012
4UCG
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BU of 4ucg by Molmil
NmeDAH7PS R126S variant
分子名称: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ...
著者Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J.
登録日2014-12-03
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric.
Plos One, 11, 2016
4PM1
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BU of 4pm1 by Molmil
Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol
分子名称: (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol, 1,2-ETHANEDIOL, Transthyretin
著者Stura, E.A, Ciccone, L.
登録日2014-05-20
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
4PMF
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BU of 4pmf by Molmil
Human transthyretin (TTR) complexed with curcumin
分子名称: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, SODIUM ION, ...
著者Stura, E.A, Ciccone, L.
登録日2014-05-21
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
6XYD
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BU of 6xyd by Molmil
Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Roske, Y, Heinemann, U, Andrea, E.D.
登録日2020-01-30
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
6XXI
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Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Wator, E, Wilk, P, Grudnik, P.
登録日2020-01-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
7NLV
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WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
分子名称: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
著者Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
8A62
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Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3
分子名称: (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-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
8A6H
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Small molecule stabilizer (compound 7) for C-RAF and 14-3-3
分子名称: 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ...
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2022-06-17
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
2DFV
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Hyperthermophilic threonine dehydrogenase from Pyrococcus horikoshii
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable L-threonine 3-dehydrogenase, SULFATE ION, ...
著者Ishikawa, K, Higashi, N, Nakamura, T, Matsuura, T, Nakagawa, A.
登録日2006-03-03
公開日2007-01-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The first crystal structure of L-threonine dehydrogenase.
J.Mol.Biol., 366, 2007

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