5RV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv2 by Molmil](/molmil-images/mine/5rv2) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783 | 分子名称: | N-benzylpyrazine-2-carboxamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5RTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rty by Molmil](/molmil-images/mine/5rty) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088 | 分子名称: | 4-HYDROXYBENZAMIDE, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5RVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvk by Molmil](/molmil-images/mine/5rvk) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810 | 分子名称: | 7-bromo-5-methyl-1H-indole-2,3-dione, Non-structural protein 3 | 著者 | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-10-02 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5RUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rue by Molmil](/molmil-images/mine/5rue) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922 | 分子名称: | 2-HYDROXY-4-AMINOBENZOIC ACID, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
4RTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rtz by Molmil](/molmil-images/mine/4rtz) | |
5RVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvv by Molmil](/molmil-images/mine/5rvv) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197 | 分子名称: | 6-methyl-1H-indole-3-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-10-02 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
3DNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dnz by Molmil](/molmil-images/mine/3dnz) | |
5RUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ruu by Molmil](/molmil-images/mine/5ruu) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614 | 分子名称: | N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5RVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rva by Molmil](/molmil-images/mine/5rva) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276 | 分子名称: | 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, Non-structural protein 3 | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-09-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5RVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvq by Molmil](/molmil-images/mine/5rvq) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153 | 分子名称: | 5-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3 | 著者 | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2020-10-02 | 公開日 | 2020-12-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
3DP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dp8 by Molmil](/molmil-images/mine/3dp8) | Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (nickel butane-1,2,4-tricarboxylate form) | 分子名称: | (2R)-butane-1,2,4-tricarboxylic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Cherrier, M.V, Cavazza, C, Bochot, C, Lemaire, D, Fontecilla-Camps, J.C. | 登録日 | 2008-07-07 | 公開日 | 2008-09-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA Biochemistry, 47, 2008
|
|
4RW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rw7 by Molmil](/molmil-images/mine/4rw7) | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.014 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
|
|
4RWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rwi by Molmil](/molmil-images/mine/4rwi) | |
3DOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dom by Molmil](/molmil-images/mine/3dom) | Crystal Structure of the complex between Tfb5 and the C-terminal domain of Tfb2 | 分子名称: | RNA polymerase II transcription factor B subunit 2, RNA polymerase II transcription factor B subunit 5 | 著者 | Kainov, D.E, Cavarelli, J, Egly, J.M, Poterszman, A. | 登録日 | 2008-07-04 | 公開日 | 2008-08-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for group A trichothiodystrophy Nat.Struct.Mol.Biol., 15, 2008
|
|
3DDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ddg by Molmil](/molmil-images/mine/3ddg) | GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one | 分子名称: | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kuntz, D.A, Rose, D.R, Hoffman, D. | 登録日 | 2008-06-05 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site Bioorg.Med.Chem., 16, 2008
|
|
4RPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rpg by Molmil](/molmil-images/mine/4rpg) | |
3DE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3de4 by Molmil](/molmil-images/mine/3de4) | |
3DPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dpw by Molmil](/molmil-images/mine/3dpw) | |
3DQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dq4 by Molmil](/molmil-images/mine/3dq4) | |
3DQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dqf by Molmil](/molmil-images/mine/3dqf) | |
3DQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dqo by Molmil](/molmil-images/mine/3dqo) | |
3DGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dgh by Molmil](/molmil-images/mine/3dgh) | Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase 1, ... | 著者 | Eckenroth, B.E, Hondal, R.J, Everse, S.J. | 登録日 | 2008-06-13 | 公開日 | 2009-06-16 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.745 Å) | 主引用文献 | Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation To be Published
|
|
3DT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dt3 by Molmil](/molmil-images/mine/3dt3) | |
4RUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rux by Molmil](/molmil-images/mine/4rux) | |
3DVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dvs by Molmil](/molmil-images/mine/3dvs) | |