8X43
| human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | 分子名称: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | 著者 | Ma, D, Guo, J. | 登録日 | 2023-11-15 | 公開日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 2024
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6J24
| Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | 分子名称: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE | 著者 | Qiu, S, Wei, C. | 登録日 | 2018-12-30 | 公開日 | 2019-05-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | 主引用文献 | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme. Signal Transduct Target Ther, 4, 2019
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8DEG
| Crystal structure of DLK in complex with inhibitor DN0011197 | 分子名称: | Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | 著者 | Srivastava, A, Lexa, K, de Vicente, J. | 登録日 | 2022-06-20 | 公開日 | 2022-12-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis. J.Med.Chem., 65, 2022
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6CWS
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6IDE
| Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | 分子名称: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | 著者 | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | 登録日 | 2018-09-09 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design. J. Biol. Chem., 294, 2019
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3V3E
| Crystal Structure of the Human Nur77 Ligand-binding Domain | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | 登録日 | 2011-12-13 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V3Q
| Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | 登録日 | 2011-12-14 | 公開日 | 2012-09-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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5MEC
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5MEA
| Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2. | 分子名称: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | 著者 | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | 登録日 | 2016-11-14 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5MEB
| Crystal structure of yeast Cdt1 C-terminal domain | 分子名称: | Cell division cycle protein CDT1, SULFATE ION | 著者 | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | 登録日 | 2016-11-14 | 公開日 | 2017-05-17 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5ME9
| Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | 分子名称: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | 著者 | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | 登録日 | 2016-11-14 | 公開日 | 2017-05-17 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5GZR
| Zika virus E protein complexed with a neutralizing antibody Z23-Fab | 分子名称: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | 著者 | Gao, G.G, Shi, Y, Peng, R, Liu, S. | 登録日 | 2016-10-01 | 公開日 | 2016-11-30 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | 主引用文献 | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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5Y14
| Crystal structure of LP-40/N44 | 分子名称: | LP-40, N44 | 著者 | Zhang, X, Wang, X, He, Y. | 登録日 | 2017-07-19 | 公開日 | 2017-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | 主引用文献 | Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition J. Virol., 91, 2017
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5YC0
| Crystal structure of LP-46/N44 | 分子名称: | Envelope glycoprotein, LP-46 | 著者 | Zhang, X, Wang, X, He, Y. | 登録日 | 2017-09-05 | 公開日 | 2018-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus J. Biol. Chem., 293, 2018
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5CZW
| Crystal structure of myroilysin | 分子名称: | Myroilysin, ZINC ION | 著者 | Zhou, J, Ran, T, Xu, D, Wang, W. | 登録日 | 2015-08-01 | 公開日 | 2016-08-03 | 最終更新日 | 2017-04-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism J. Biol. Chem., 292, 2017
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3T10
| HSP90 N-terminal domain bound to ACP | 分子名称: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Li, J. | 登録日 | 2011-07-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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3T0H
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3T0Z
| Hsp90 N-terminal domain bound to ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Li, J. | 登録日 | 2011-07-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.192 Å) | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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2LSP
| solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | 分子名称: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | 著者 | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | 登録日 | 2012-05-03 | 公開日 | 2012-07-18 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition. J.Biol.Chem., 287, 2012
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6KZ5
| Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | 分子名称: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | 著者 | Hong, W, Chen, H, Wu, Q, Lin, T. | 登録日 | 2019-09-23 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (4.45 Å) | 主引用文献 | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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5GWD
| Structure of Myroilysin | 分子名称: | Myroilysin, ZINC ION | 著者 | Xu, D, Ran, T, Wang, W. | 登録日 | 2016-09-10 | 公開日 | 2017-02-15 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Myroilysin Is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Is Activated by a Cysteine Switch Mechanism. J. Biol. Chem., 292, 2017
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3UQR
| Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.056 Å) | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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5TRL
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5TRM
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4M57
| Crystal structure of the pentatricopeptide repeat protein PPR10 from maize | 分子名称: | Chloroplast pentatricopeptide repeat protein 10 | 著者 | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | 登録日 | 2013-08-08 | 公開日 | 2013-10-30 | 最終更新日 | 2013-12-18 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Structural basis for the modular recognition of single-stranded RNA by PPR proteins. Nature, 504, 2013
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