4H8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h8i by Molmil](/molmil-images/mine/4h8i) | Structure of GluK2-LBD in complex with GluAzo | 分子名称: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Reiter, A, Skerra, A, Trauner, D, Schiefner, A. | 登録日 | 2012-09-22 | 公開日 | 2013-09-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A photoswitchable neurotransmitter analogue bound to its receptor. Biochemistry, 52, 2013
|
|
2QRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qrj by Molmil](/molmil-images/mine/2qrj) | Crystal Structure of Sulfate-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae | 分子名称: | CHLORIDE ION, SULFATE ION, Saccharopine dehydrogenase, ... | 著者 | Andi, B, Xu, H, Cook, P.F, West, A.H. | 登録日 | 2007-07-28 | 公開日 | 2007-10-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae Biochemistry, 46, 2007
|
|
2Q7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q7b by Molmil](/molmil-images/mine/2q7b) | |
5RTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rte by Molmil](/molmil-images/mine/5rte) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576 | 分子名称: | 4-(1H-imidazol-2-yl)pyridine, 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
|
|
4H94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h94 by Molmil](/molmil-images/mine/4h94) | Radiation damage in lysozyme - 0.56 MGy | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | 著者 | Sutton, K.A, Snell, E.H. | 登録日 | 2012-09-24 | 公開日 | 2013-05-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies. Acta Crystallogr.,Sect.D, 69, 2013
|
|
4H97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h97 by Molmil](/molmil-images/mine/4h97) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M) | 分子名称: | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate Reductase, GLYCEROL, ... | 著者 | Paulsen, J.L, Anderson, A.C. | 登録日 | 2012-09-24 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
|
|
5RTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtv by Molmil](/molmil-images/mine/5rtv) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894 | 分子名称: | 3-hydroxy-2-methylbenzoic acid, DIMETHYL SULFOXIDE, 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
|
|
4HAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hab by Molmil](/molmil-images/mine/4hab) | Crystal structure of Plk1 Polo-box domain in complex with PL-49 | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION, PL-49, ... | 著者 | Lee, W.C, Song, J.H, Kim, H.Y. | 登録日 | 2012-09-26 | 公開日 | 2013-04-03 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. Bioorg.Med.Chem., 21, 2013
|
|
5RUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rus by Molmil](/molmil-images/mine/5rus) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081 | 分子名称: | HISTAMINE, 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
|
|
2QU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qu5 by Molmil](/molmil-images/mine/2qu5) | Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor | 分子名称: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2007-08-03 | 公開日 | 2007-09-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
|
|
5RV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv9 by Molmil](/molmil-images/mine/5rv9) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150 | 分子名称: | 4-tert-butylbenzene-1,2-diol, 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 | 2022-05-25 | 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
|
|
4GQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gqm by Molmil](/molmil-images/mine/4gqm) | |
5RVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvo by Molmil](/molmil-images/mine/5rvo) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509 | 分子名称: | 2-AMINOQUINAZOLIN-4(3H)-ONE, 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 (1.52 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
|
|
2QXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qxx by Molmil](/molmil-images/mine/2qxx) | Bifunctional dCTP deaminase: dUTPase from Mycobacterium tuberculosis in complex with dTTP | 分子名称: | Deoxycytidine triphosphate deaminase, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Christophersen, S, Harris, P, Willemoes, M. | 登録日 | 2007-08-13 | 公開日 | 2008-02-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanism of dTTP inhibition of the bifunctional dCTP deaminase:dUTPase encoded by Mycobacterium tuberculosis. J.Mol.Biol., 376, 2008
|
|
2R0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r0j by Molmil](/molmil-images/mine/2r0j) | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum | 分子名称: | Ubiquitin carrier protein | 著者 | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | 登録日 | 2007-08-20 | 公開日 | 2007-09-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum. To be Published
|
|
5RSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsf by Molmil](/molmil-images/mine/5rsf) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281 | 分子名称: | 9-methyl-9H-purine-2,6-diamine, 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
|
|
5RSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsx by Molmil](/molmil-images/mine/5rsx) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262 | 分子名称: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, DIMETHYL SULFOXIDE, 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
|
|
2R0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r0w by Molmil](/molmil-images/mine/2r0w) | PFA2 FAB complexed with Abeta1-8 | 分子名称: | Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ... | 著者 | Gardberg, A.S, Dealwis, C. | 登録日 | 2007-08-21 | 公開日 | 2007-10-16 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
5RTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtd by Molmil](/molmil-images/mine/5rtd) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108 | 分子名称: | 3-HYDROXYPICOLINIC 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 (1.04 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
|
|
5RTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtt by Molmil](/molmil-images/mine/5rtt) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 | 分子名称: | 3-(1-methyl-1H-indol-3-yl)propanoic 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 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
|
|
2R3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r3x by Molmil](/molmil-images/mine/2r3x) | Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione | 分子名称: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | 著者 | Burke, J.P.W.G, Kinsley, N, Sayed, M, Sewell, T, Dirr, H.W. | 登録日 | 2007-08-30 | 公開日 | 2007-12-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1. Biophys.Chem., 146, 2010
|
|
5RU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ru9 by Molmil](/molmil-images/mine/5ru9) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882 | 分子名称: | 3-AMINOPYRIDINE-4-CARBOXYLIC 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 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
|
|
5RUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5run by Molmil](/molmil-images/mine/5run) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 | 分子名称: | 3-(1H-benzimidazol-1-yl)propanoic 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 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
|
|
2R46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r46 by Molmil](/molmil-images/mine/2r46) | Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phosphopyruvic acid. | 分子名称: | 1,2-ETHANEDIOL, Aerobic glycerol-3-phosphate dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Yeh, J.I, Du, S, Chinte, U. | 登録日 | 2007-08-30 | 公開日 | 2008-04-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of glycerol-3-phosphate dehydrogenase, an essential
monotopic membrane enzyme involved in respiration and metabolism Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
5RV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv5 by Molmil](/molmil-images/mine/5rv5) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948 | 分子名称: | BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-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
|
|