6KKI
 
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6KKK
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6KKJ
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4PNZ
 | | Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102) | | 分子名称: | (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G, Yan, Y. | | 登録日 | 2014-02-22 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
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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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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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4WUM
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6IIC
 | | CryoEM structure of Mud Crab Dicistrovirus | | 分子名称: | VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ... | | 著者 | Zhang, Q, Gao, Y. | | 登録日 | 2018-10-04 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
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7C6Q
 | | Novel natural PPARalpha agonist with a unique binding mode | | 分子名称: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha | | 著者 | Tian, S.Y, Wang, R, Zheng, W.L, Li, Y. | | 登録日 | 2020-05-22 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
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7CLF
 | | PigF with SAH | | 分子名称: | ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W. | | 登録日 | 2020-07-20 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.982 Å) | | 主引用文献 | Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
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7CLU
 | | PigF with SAH | | 分子名称: | ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein | | 著者 | Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W. | | 登録日 | 2020-07-22 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
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6IZL
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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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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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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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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 | | 最終更新日 | 2024-07-17 | | 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., 20, 2024
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6J1O
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6J60
 | | hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217) | | 分子名称: | 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1 | | 著者 | Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C. | | 登録日 | 2019-01-12 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (0.96 Å) | | 主引用文献 | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
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6J46
 | | LepI-SAH complex structure | | 分子名称: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Qiu, S, Wei, C. | | 登録日 | 2019-01-08 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.621 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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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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8WR2
 | | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Fan, J, Zhu, Y. | | 登録日 | 2023-10-12 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
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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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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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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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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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