6POX
 
 | | Structure of human endothelialnitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2019-07-05 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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5DOW
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6Y4S
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5L8B
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E62A | | 分子名称: | CALCIUM ION, Uncharacterized protein | | 著者 | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | 登録日 | 2016-06-07 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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6PDD
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | 登録日 | 2019-06-18 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6Y58
 | | Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide | | 分子名称: | 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION | | 著者 | Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C. | | 登録日 | 2020-02-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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6V7Z
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8OYS
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8P1H
 | | Crystal structure of the chimera of human 14-3-3 zeta and phosphorylated cytoplasmic loop fragment of the alpha7 acetylcholine receptor | | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, BENZOIC ACID, ... | | 著者 | Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Lyukmanova, E.N, Sluchanko, N.N. | | 登録日 | 2023-05-12 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure reveals canonical recognition of the phosphorylated cytoplasmic loop of human alpha7 nicotinic acetylcholine receptor by 14-3-3 protein.
Biochem.Biophys.Res.Commun., 682, 2023
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6PDP
 | | Human PIM1 bound to benzothiophene inhibitor 379 | | 分子名称: | 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ... | | 著者 | Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Human PIM1
To Be Published
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6N4X
 | | Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5 | | 著者 | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | | 登録日 | 2018-11-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
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5VLK
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6YC3
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | 著者 | Kovalev, K, Gushchin, I, Gordeliy, V. | | 登録日 | 2020-03-18 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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6UY3
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5L76
 | | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) | | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | | 著者 | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | | 登録日 | 2016-06-02 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
To Be Published
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6PP9
 | | Crystal structure of BRAF:MEK1 complex | | 分子名称: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | | 登録日 | 2019-07-05 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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6FMF
 | | Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure | | 分子名称: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid | | 著者 | Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. | | 登録日 | 2018-01-31 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.811 Å) | | 主引用文献 | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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8KIH
 | | PhmA, a type I diterpene synthase without NST/DTE motif | | 分子名称: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ... | | 著者 | Zhang, B, Ge, H.M, Zhu, A, Zhang, Y. | | 登録日 | 2023-08-23 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5VLP
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7CTM
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6Y62
 | | Crystal structure of the envelope glycoprotein complex of Maporal virus in a prefusion conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Serris, A, Rey, F.A, Guardado-Calvo, P. | | 登録日 | 2020-02-26 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
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6MZQ
 | | TAS-120 in reversible binding mode with FGFR1 | | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1 | | 著者 | Kalyukina, M, Squire, C.J. | | 登録日 | 2018-11-05 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
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5VP1
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | 分子名称: | MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ... | | 著者 | Hoffman, I.D. | | 登録日 | 2017-05-03 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
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5LA8
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6MZW
 | | TAS-120 covalent complex with FGFR1 | | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1, SULFATE ION | | 著者 | Kalyukina, M, Squire, C.J. | | 登録日 | 2018-11-05 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure.
ChemMedChem, 14, 2019
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