7A4C
 
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | 分子名称: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7Q9L
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol | | 分子名称: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ... | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9O
 | | Complex of Transthyretin with resveratrol exhibits multiple binding modes | | 分子名称: | GLYCEROL, RESVERATROL, SODIUM ION, ... | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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6VR0
 | | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A | | 分子名称: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION | | 著者 | Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C. | | 登録日 | 2020-02-06 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
To Be Published
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6O2T
 | | Acetylated Microtubules | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | | 登録日 | 2019-02-24 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6FSN
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Roversi, P, Le Cornu, J.D, Hill, J, Alonzi, D.S, Zitzmann, N. | | 登録日 | 2018-02-19 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 2022
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7TD3
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | 登録日 | 2021-12-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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7TD4
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | | 分子名称: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | 登録日 | 2021-12-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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8D2V
 | | Zebrafish MFSD2A isoform B in inward open ligand 1B conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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8V8I
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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7QZF
 | | SFX structure of dye-type peroxidase DtpB D152A/N245A variant in the ferric state | | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S. | | 登録日 | 2022-01-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB.
Acs Catalysis, 12, 2022
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6NZZ
 | | LRRC8A-DCPIB in MSP1E3D1 nanodisc expanded state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid, Volume-regulated anion channel subunit LRRC8A | | 著者 | Kern, D.M, Hite, R.K, Brohawn, S.G. | | 登録日 | 2019-02-14 | | 公開日 | 2019-02-27 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Cryo-EM structures of the DCPIB-inhibited volume-regulated anion channel LRRC8A in lipid nanodiscs.
Elife, 8, 2019
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4WMS
 | | STRUCTURE OF APO MBP-MCL1 AT 1.9A | | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Clifton, M.C, Dranow, D.M. | | 登録日 | 2014-10-09 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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6O2S
 | | Deacetylated Microtubules | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | | 登録日 | 2019-02-24 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7QFJ
 | | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362) | | 分子名称: | SlpX | | 著者 | Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D. | | 登録日 | 2021-12-06 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7QGW
 | | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | | 著者 | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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8D2U
 | | Zebrafish MFSD2A isoform B in inward open ligand 1A conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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6W8A
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7QLH
 | | Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | | 分子名称: | PHOSPHATE ION, S-layer, SODIUM ION | | 著者 | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6W8F
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8D2S
 | | Zebrafish MFSD2A isoform B in inward open ligand bound conformation | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | 著者 | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | 登録日 | 2022-05-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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7OM2
 | | Thosea asigna virus RdRP domain in complex with Mg+2 | | 分子名称: | GLYCEROL, MAGNESIUM ION, RNA-dependent RNA polymerase, ... | | 著者 | Ferrero, D.S, Falqui, M, Verdaguer, N. | | 登録日 | 2021-05-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Snapshots of a Non-Canonical RdRP in Action.
Viruses, 13, 2021
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6VLY
 | | Crystal structure of FabI-NADH complex from Alistipes finegoldii | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Radka, C.D, Seetharaman, J, Rock, C.O. | | 登録日 | 2020-01-27 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
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5N18
 | | Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2) | | 分子名称: | 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL | | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-05 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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8CXC
 | | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | | 分子名称: | 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ... | | 著者 | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | | 登録日 | 2022-05-20 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (4.31 Å) | | 主引用文献 | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
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