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5OA0
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BU of 5oa0 by Molmil
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ...
著者Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
登録日2017-06-20
公開日2018-08-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
8B4Z
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BU of 8b4z by Molmil
Rosellinia necatrix megabirnavirus 1-W779 full capsid
分子名称: Major capsid protein A
著者Wang, H, Okamoto, K, Miyazaki, N, Suzuki, N.
登録日2022-09-21
公開日2023-02-22
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Capsid structure of a fungal dsRNA megabirnavirus reveals its previously unidentified surface architecture.
Plos Pathog., 19, 2023
9FCQ
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BU of 9fcq by Molmil
CysG(N-16)-H122A mutant in complex with SAH from Kitasatospora cystarginea
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M.
登録日2024-05-15
公開日2024-08-21
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
5KOT
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BU of 5kot by Molmil
Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor
分子名称: 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W.
登録日2016-07-01
公開日2017-07-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor
To be published
7VNO
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BU of 7vno by Molmil
Structure of aminotransferase
分子名称: 1,2-ETHANEDIOL, 454aa long hypothetical 4-aminobutyrate aminotransferase, GLYCEROL, ...
著者Sakuraba, H, Ohshida, T, Ohshima, T.
登録日2021-10-11
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a novel type of ornithine delta-aminotransferase from the hyperthermophilic archaeon Pyrococcus horikoshii.
Int.J.Biol.Macromol., 208, 2022
6IRB
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BU of 6irb by Molmil
C-terminal coiled coil domain of Drosophila phospholipase C beta NORPA, selenomethionine
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase
著者Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.661 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
7VNT
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BU of 7vnt by Molmil
Structure of aminotransferase-substrate complex
分子名称: 1,2-ETHANEDIOL, 454aa long hypothetical 4-aminobutyrate aminotransferase, GLYCEROL, ...
著者Sakuraba, H, Ohshida, T, Ohshima, T.
登録日2021-10-12
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a novel type of ornithine delta-aminotransferase from the hyperthermophilic archaeon Pyrococcus horikoshii.
Int.J.Biol.Macromol., 208, 2022
7OK6
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BU of 7ok6 by Molmil
Crystal structure of UNC119B in complex with LCK peptide
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, LCK peptide, ...
著者Yelland, T, Ismail, S.
登録日2021-05-17
公開日2021-06-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms.
Biochemistry, 60, 2021
9DT5
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BU of 9dt5 by Molmil
Crystal structure of the engineered sulfonylurea repressor CsR (L4.2-20), bound to chlorsulfuron
分子名称: 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, Sulfonylurea repressor CsR (L4.2-20)
著者Schreiter, E.R, Leija, C, Kakani, N.K, McBride, K.E, Looger, L.L.
登録日2024-09-30
公開日2025-10-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and evolution of agrochemical-responsive gene switches for field crops
To Be Published
7KBX
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BU of 7kbx by Molmil
Solution structure of the major MYC promoter G-quadruplex in complex with NSC85697, a quinoline derivative
分子名称: 2-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide, Myc2345_T23
著者Dickerhoff, J, Yang, D.
登録日2020-10-03
公開日2021-06-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural recognition of the MYC promoter G-quadruplex by a quinoline derivative: insights into molecular targeting of parallel G-quadruplexes.
Nucleic Acids Res., 49, 2021
5O1K
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BU of 5o1k by Molmil
Crystal structure of murine neuroglobin mutant V140W under 20 bar xenon pressure
分子名称: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Colloc'h, N, Prange, T.
登録日2017-05-18
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
6VD4
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BU of 6vd4 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-bromo-ortho-cresol
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-12-23
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
5FHB
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BU of 5fhb by Molmil
Crystal Structure of Protective Ebola Virus Antibody 100
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Antibody 100 Fab heavy chain, ...
著者Gilman, M.S.A, McLellan, J.S.
登録日2015-12-21
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
6FUP
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BU of 6fup by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2018-02-27
公開日2018-04-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
6VD3
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BU of 6vd3 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-bromophenol
分子名称: 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-12-23
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6UPM
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BU of 6upm by Molmil
Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate
分子名称: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, GLYCEROL, ...
著者Feliciano, P.R, Drennan, C.L.
登録日2019-10-17
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Biochemistry, 58, 2019
6UP9
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BU of 6up9 by Molmil
Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with malonate
分子名称: Fumarate hydratase 2, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Feliciano, P.R, Drennan, C.L.
登録日2019-10-16
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Biochemistry, 58, 2019
6UQ8
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BU of 6uq8 by Molmil
Crystal structure of R421A variant of cytosolic fumarate hydratase from Leishmania major in a complex with S-malate and malonate
分子名称: (2S)-2-hydroxybutanedioic acid, Fumarate hydratase 2, GLYCEROL, ...
著者Feliciano, P.R, Drennan, C.L.
登録日2019-10-18
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.339 Å)
主引用文献Structural and Biochemical Investigations of the [4Fe-4S] Cluster-Containing Fumarate Hydratase fromLeishmania major.
Biochemistry, 58, 2019
4U79
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BU of 4u79 by Molmil
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
分子名称: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
著者Mohr, C.
登録日2014-07-30
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
6IWH
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BU of 6iwh by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ...
著者Yamamoto, Y, Morita, D, Sugita, M.
登録日2018-12-05
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
9MFR
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BU of 9mfr by Molmil
Cat DHX9 in Complex with Compound 23 and ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S.
登録日2024-12-10
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
9H38
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BU of 9h38 by Molmil
C-terminal domain of the F-ENA tip fibrillum F-BclA from Bacillus thuringiensis
分子名称: 1,2-ETHANEDIOL, Flagellar hook-length control protein FliK, GLYCEROL
著者Sogues, A, Sleutel, M, Remaut, H.
登録日2024-10-16
公開日2025-03-12
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Cryo-EM analysis of the Bacillus thuringiensis extrasporal matrix identifies F-ENA as a widespread family of endospore appendages across the Firmicutes phylum.
Biorxiv, 2025
5F4O
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BU of 5f4o by Molmil
Protruding domain of GII.17 norovirus Kawasaki308
分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, MAGNESIUM ION
著者Singh, B.K, Hansman, G.S.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses.
J.Virol., 90, 2015
6IPW
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BU of 6ipw by Molmil
Crystal structure of CqsB2 from Streptomyces exfoliatus in complex with the product, 1-(2-hydroxypropyl)-2-methyl-carbazole-3,4-dione
分子名称: 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB2
著者Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T.
登録日2018-11-05
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Unprecedented Cyclization Mechanism in the Biosynthesis of Carbazole Alkaloids in Streptomyces.
Angew.Chem.Int.Ed.Engl., 58, 2019
1F27
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BU of 1f27 by Molmil
CRYSTAL STRUCTURE OF A BIOTIN-BINDING RNA PSEUDOKNOT
分子名称: BIOTIN, MAGNESIUM ION, RNA (5'-R(*AP*AP*AP*AP*AP*GP*UP*CP*CP*UP*C)-3'), ...
著者Nix, J, Sussman, D, Wilson, C.
登録日2000-05-23
公開日2000-06-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The 1.3 A crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition.
J.Mol.Biol., 296, 2000

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