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6ISC
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BU of 6isc by Molmil
complex structure of mCD226-ecto and hCD155-D1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, Poliovirus receptor
著者Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
登録日2018-11-16
公開日2018-12-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8T35
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BU of 8t35 by Molmil
Crystal structure of K51 acetylated LC3A in complex with the LIR of TP53INP2/DOR
分子名称: 1,2-ETHANEDIOL, Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-07
公開日2024-05-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 20, 2024
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
分子名称: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
著者Liu, K, Li, W.F, Min, J.R.
登録日2023-07-19
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
9FVF
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BU of 9fvf by Molmil
UMG-SP3 amidase from uncultured bacterium
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Amidase UMG-SP3, SULFATE ION
著者Rotilio, L, Morth, J.P.
登録日2024-06-27
公開日2025-02-05
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Functional Characterization of an Amidase Targeting a Polyurethane for Sustainable Recycling.
Angew.Chem.Int.Ed.Engl., 64, 2025
6AC3
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BU of 6ac3 by Molmil
Structure of a natural red emitting luciferase from Phrixothrix hirtus (P3121 crystal form)
分子名称: Red-bioluminescence eliciting luciferase
著者Carrasco-Lopez, C, Panjikar, S, Naumov, P, Rabeh, W.
登録日2018-07-24
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Beetle luciferases with naturally red- and blue-shifted emission.
Life Sci Alliance, 1, 2018
5CG9
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BU of 5cg9 by Molmil
NgTET1 in complex with 5mC DNA in space group P3221
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DNA (5'-D(*TP*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), ...
著者Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X.
登録日2015-07-09
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA.
Nucleic Acids Res., 43, 2015
5LFA
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BU of 5lfa by Molmil
Crystal structure of iron-sulfur cluster containing bacterial (6-4) photolyase PhrB - Y424F mutant with impaired DNA repair activity
分子名称: (6-4) photolyase, 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kwiatkowski, D, Zhang, F, Krauss, N, Lamparter, T, Scheerer, P.
登録日2016-06-30
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Photochem. Photobiol., 93, 2017
8Z37
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BU of 8z37 by Molmil
Crystal structure of human STING ligand binding domain.
分子名称: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CALCIUM ION, CHLORIDE ION, ...
著者Sun, P.K, Li, X.J.
登録日2024-04-14
公開日2025-04-16
最終更新日2025-10-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A fluorescent STING ligand sensor for high-throughput screening of compounds that can enhance tumor immunotherapy.
Cell Rep Methods, 5, 2025
1KRV
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BU of 1krv by Molmil
Galactoside Acetyltransferase in Complex with CoA and PNP-beta-Gal
分子名称: 4-nitrophenyl beta-D-galactopyranoside, COENZYME A, GALACTOSIDE O-ACETYLTRANSFERASE
著者Wang, X.-G, Olsen, L.R, Roderick, S.L.
登録日2002-01-10
公開日2002-04-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the lac operon galactoside acetyltransferase.
Structure, 10, 2002
7PN4
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BU of 7pn4 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with naphthalene
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
著者Fernandez-Garcia, A, Sanz-Aparicio, J.
登録日2021-09-06
公開日2023-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN8
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BU of 7pn8 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with tetradecane
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
著者Fernandez-Garcia, A, Sanz-Aparicio, J.
登録日2021-09-06
公開日2023-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
7PN9
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BU of 7pn9 by Molmil
Evolved unspecific peroxygenase with A77L mutation in complex with lauric acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
著者Fernandez-Garcia, A, Sanz-Aparicio, J.
登録日2021-09-06
公開日2023-01-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Angew.Chem.Int.Ed.Engl., 62, 2023
6FXG
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BU of 6fxg by Molmil
Crystal structure of substrate binding domain 1 (SBD1) OF ABC transporter GLNPQ in complex with Asparagine
分子名称: ASPARAGINE, Amino acid ABC transporter membrane protein PAAT family
著者Guskov, A, Schuurman-Wolters, G.K, Poolman, B.
登録日2018-03-09
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of substrate binding domain 1 (SBD1) OF ABC transporter GLNPQ in complex with Asparagine
To Be Published
8ZMU
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BU of 8zmu by Molmil
GLUTAMATE DEHYDROGENASE (W89F-MUTANT) FROM THERMOCOCCUS PROFUNDUS IN THE UNLIGANDED STATE
分子名称: ACETIC ACID, GLYCEROL, Glutamate dehydrogenase, ...
著者Wakabayashi, T, Matsui, Y, Masayoshi, M.
登録日2024-05-23
公開日2024-06-05
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (2.028 Å)
主引用文献CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
7PSC
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BU of 7psc by Molmil
Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
著者Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2021-09-22
公開日2023-04-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
5LPS
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BU of 5lps by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group C2) with 6-amino-2-(methylamino)-4-(2-((2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxytetrahydro-2H-pyran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: 1,2-ETHANEDIOL, 6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-08-14
公開日2017-08-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer
To be published
8QT4
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BU of 8qt4 by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
登録日2023-10-12
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
5LUN
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BU of 5lun by Molmil
Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine
分子名称: 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, FE (III) ION, ...
著者McDonough, M.A, Zhang, Z, Schofield, C.J.
登録日2016-09-09
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5J6A
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BU of 5j6a by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46
分子名称: (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T.
登録日2016-04-04
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
8WNI
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BU of 8wni by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-06
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8RD0
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BU of 8rd0 by Molmil
HUWE1 WWE domain in complex with compound 3
分子名称: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1
著者Muenzker, L, Boettcher, J.
登録日2023-12-07
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
5M9N
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BU of 5m9n by Molmil
Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
分子名称: 1,2-ETHANEDIOL, E2F peptide, N3, ...
著者Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-11-01
公開日2016-11-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5MB7
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BU of 5mb7 by Molmil
Cocktail experiment B: fragments 224 and 236 at 50mM concentration
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, Endothiapepsin, GLYCEROL
著者Radeva, N, Koester, H, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Comparison of cocktail versus single soaking experiments
To Be Published
8HMT
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BU of 8hmt by Molmil
The complex of ACK1 with the inhibitor 2-142
分子名称: 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one, Activated CDC42 kinase 1
著者Zhu, S, Xiaoyun, X.Y.
登録日2022-12-05
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献The complex of ACK1 with the inhibitor 2-142
To Be Published
7R7B
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BU of 7r7b by Molmil
1.50 Angstroem Crystal Structure of FeoA from Bacteroides fragilis
分子名称: Ferrous iron transport protein B, GLYCEROL, PHOSPHATE ION
著者Sestok, A.E, Smith, A.T.
登録日2021-06-24
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A fusion of the Bacteroides fragilis ferrous iron import proteins reveals a role for FeoA in stabilizing GTP-bound FeoB.
J.Biol.Chem., 298, 2022

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件を2025-10-22に公開中

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