7LF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lf0 by Molmil](/molmil-images/mine/7lf0) | |
8HE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8he7 by Molmil](/molmil-images/mine/8he7) | ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | 分子名称: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | 登録日 | 2022-11-07 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis. J.Med.Chem., 66, 2023
|
|
8HE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8he8 by Molmil](/molmil-images/mine/8he8) | Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | 分子名称: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2 | 著者 | Wang, X.Y, Xu, B.L, Zhou, J. | 登録日 | 2022-11-07 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis. J.Med.Chem., 66, 2023
|
|
8HT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ht7 by Molmil](/molmil-images/mine/8ht7) | The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex | 分子名称: | DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP | 著者 | Liu, C, Zhu, G, Geng, Y, Xu, N. | 登録日 | 2022-12-20 | 公開日 | 2023-12-27 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex. Int.J.Biol.Macromol., 260, 2024
|
|
5Z8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z8l by Molmil](/molmil-images/mine/5z8l) | |
7MPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mpk by Molmil](/molmil-images/mine/7mpk) | Crystal structure of TagA with UDP-GlcNAc | 分子名称: | N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | 著者 | Martinez, O.E, Cascio, D, Clubb, R.T. | 登録日 | 2021-05-04 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.993 Å) | 主引用文献 | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
|
|
7VYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vyo by Molmil](/molmil-images/mine/7vyo) | The structure of GdmN | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | 登録日 | 2021-11-14 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
|
|
3KUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kue by Molmil](/molmil-images/mine/3kue) | |
3KUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kug by Molmil](/molmil-images/mine/3kug) | |
7XYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xyd by Molmil](/molmil-images/mine/7xyd) | Crystal structure of TMPRSS2 in complex with Nafamostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
7Y0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y0f by Molmil](/molmil-images/mine/7y0f) | Crystal structure of TMPRSS2 in complex with UK-371804 | 分子名称: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-04 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
7Y0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y0e by Molmil](/molmil-images/mine/7y0e) | Crystal structure of TMPRSS2 in complex with Camostat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-06-04 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
|
|
6IP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ip4 by Molmil](/molmil-images/mine/6ip4) | |
5XGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xgk by Molmil](/molmil-images/mine/5xgk) | Crystal structure of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD) complexed with its substrate 4-hydroxyphenylpyruvate acid (HPPA) | 分子名称: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, 4-hydroxyphenylpyruvate dioxygenase, ACETATE ION, ... | 著者 | Yang, G.F, Yang, W.C, Lin, H.Y. | 登録日 | 2017-04-14 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery. Res, 2019, 2019
|
|
6JIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jij by Molmil](/molmil-images/mine/6jij) | |
5ZFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zfz by Molmil](/molmil-images/mine/5zfz) | Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant | 分子名称: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | 著者 | Li, Y.Y, Wu, B.X, Gan, J.H. | 登録日 | 2018-03-07 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
|
|
5YZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yz1 by Molmil](/molmil-images/mine/5yz1) | Crystal structure of human Archease | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Protein archease | 著者 | Duan, S.Y, Li, J.X. | 登録日 | 2017-12-11 | 公開日 | 2019-01-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal structure of human archease, a key cofactor of tRNA splicing ligase complex. Int.J.Biochem.Cell Biol., 122, 2020
|
|
8KB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kb0 by Molmil](/molmil-images/mine/8kb0) | Crystal structure of 01JD-AEAIIVAMV | 分子名称: | Beta2-microglobulin, MHC class I antigen alpha chain, peptide of AIV | 著者 | Tang, Z, Zhang, N. | 登録日 | 2023-08-03 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation. Int.J.Biol.Macromol., 267, 2024
|
|
8KB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kb1 by Molmil](/molmil-images/mine/8kb1) | Crystal structure of 11JD | 分子名称: | Beta2-microglobulin, MHC class I antigen, peptide of AIV | 著者 | Tang, Z, Zhang, N. | 登録日 | 2023-08-03 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation. Int.J.Biol.Macromol., 267, 2024
|
|
5ZFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zfw by Molmil](/molmil-images/mine/5zfw) | Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant | 分子名称: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | 著者 | Li, Y.Y, Wu, B.X, Gan, J.H. | 登録日 | 2018-03-07 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | 主引用文献 | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
|
|
5ZFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zfy by Molmil](/molmil-images/mine/5zfy) | Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant | 分子名称: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | 著者 | Li, Y.Y, Wu, B.X, Gan, J.H. | 登録日 | 2018-03-07 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
|
|
5Z6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z6z by Molmil](/molmil-images/mine/5z6z) | Crystal structure of human DUX4 homeodomains bound to DNA | 分子名称: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4 | 著者 | Li, Y.Y, Wu, B.X, Gan, J.H. | 登録日 | 2018-01-26 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
|
|
5ZYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zyt by Molmil](/molmil-images/mine/5zyt) | |
6A0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a0q by Molmil](/molmil-images/mine/6a0q) | The crystal structure of Lpg2622_E64 complex | 分子名称: | Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | 著者 | Gong, X, Ge, H. | 登録日 | 2018-06-06 | 公開日 | 2018-09-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018
|
|
5ZYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zyu by Molmil](/molmil-images/mine/5zyu) | |