6KO1
| The crystal structue of PDE10A complexed with 2d | 分子名称: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | 登録日 | 2019-08-07 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KP7
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5LW6
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5LCY
| Formaldehyde-Responsive Regulator FrmR E64H variant from Salmonella enterica serovar Typhimurium | 分子名称: | Frmr | 著者 | Pohl, E, Robinson, N, Osman, D, Piergentili, C, Uson, I. | 登録日 | 2016-06-22 | 公開日 | 2016-08-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | The Effectors and Sensory Sites of Formaldehyde-responsive Regulator FrmR and Metal-sensing Variant. J.Biol.Chem., 291, 2016
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5LGG
| The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1) | 分子名称: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1 | 著者 | Li, Q, Aibara, S, Barford, D. | 登録日 | 2016-07-07 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LI8
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | 分子名称: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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4WAG
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6L02
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5LD5
| Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution | 分子名称: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Querol-Garcia, J, Fernandez, F.J, Gomez, S, Fulla, D, Juanhuix, J, Vega, M.C. | 登録日 | 2016-06-23 | 公開日 | 2017-07-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1906 Å) | 主引用文献 | Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from the Gram-Positive Bacterial Pathogen A. vaginae, an Immunoevasive Factor that Interacts with the Human C5a Anaphylatoxin. Front Microbiol, 8, 2017
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6KP2
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5LKR
| Human Butyrylcholinesterase complexed with N-Propargyliperidines | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | 著者 | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | 登録日 | 2016-07-23 | 公開日 | 2016-12-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg. Med. Chem., 25, 2017
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5M1E
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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5M35
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5M39
| Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 | 分子名称: | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | 著者 | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | 登録日 | 2016-10-14 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
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5LRV
| Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin | 分子名称: | GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ... | 著者 | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | 登録日 | 2016-08-22 | 公開日 | 2016-10-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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5LT7
| Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-06 | 公開日 | 2016-10-05 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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6KOT
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6KPP
| BNC105 in complex with tubulin | 分子名称: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, T, Wu, C, Pu, D. | 登録日 | 2019-08-15 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.74524117 Å) | 主引用文献 | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design. Biochem.Biophys.Res.Commun., 2020
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6KSW
| Cryo-EM structure of the human concentrative nucleoside transporter CNT3 | 分子名称: | Solute carrier family 28 member 3 | 著者 | Zhou, Y.X, Liao, L.H, Li, J.L, Xiao, Q.J, Sun, L.F, Deng, D. | 登録日 | 2019-08-26 | 公開日 | 2020-08-26 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structure of the human concentrative nucleoside transporter CNT3. Plos Biol., 18, 2020
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6KUY
| Crystal structure of the alpha2A adrenergic receptor in complex with a partial agonist | 分子名称: | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole, Alpha2A adrenergic receptor, DI(HYDROXYETHYL)ETHER | 著者 | Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W. | 登録日 | 2019-09-02 | 公開日 | 2019-12-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structures of the alpha2A adrenergic receptor in complex with a partial agonist To Be Published
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5M0O
| Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid | 分子名称: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | 登録日 | 2016-10-05 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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4WAE
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6KYB
| Crystal structure of Atg18 from Saccharomyces cerevisiae | 分子名称: | Autophagy-related protein 18 | 著者 | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | 登録日 | 2019-09-17 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae. Cell.Mol.Life Sci., 78, 2021
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5LI6
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide | 著者 | Levy, C, Munro, A.W, Leys, D. | 登録日 | 2016-07-14 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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4WAB
| Crystal structure of mPGES1 solved by native-SAD phasing | 分子名称: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | 著者 | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | 登録日 | 2014-08-29 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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