5RSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsi by Molmil](/molmil-images/mine/5rsi) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934 | 分子名称: | 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, 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
|
|
5RSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsy by Molmil](/molmil-images/mine/5rsy) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230 | 分子名称: | 2-hydroxy-5-(methylsulfanyl)benzoic 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
|
|
5RTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtf by Molmil](/molmil-images/mine/5rtf) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514 | 分子名称: | ISATIN, 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
|
|
6OOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ooa by Molmil](/molmil-images/mine/6ooa) | Human CYP3A4 bound to a drug substrate | 分子名称: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A4, GLYCEROL, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2019-04-22 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
|
|
5RTU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtu by Molmil](/molmil-images/mine/5rtu) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056 | 分子名称: | 1-methyl-5-phenyl-1H-pyrazole-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
|
|
5RUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rua by Molmil](/molmil-images/mine/5rua) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325 | 分子名称: | (3,5-dichlorophenyl)acetic 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
|
|
5RUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ruq by Molmil](/molmil-images/mine/5ruq) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226 | 分子名称: | 1H-indole-4-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 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
|
|
5RV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv4 by Molmil](/molmil-images/mine/5rv4) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224 | 分子名称: | Non-structural protein 3, quinolin-3-amine | 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
|
|
2W12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w12 by Molmil](/molmil-images/mine/2w12) | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | 分子名称: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | 著者 | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | 登録日 | 2008-10-14 | 公開日 | 2009-06-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
|
|
6UWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uwe by Molmil](/molmil-images/mine/6uwe) | Crystal structure of recombinant thiocyanate dehydrogenase from Thioalkalivibrio paradoxus saturated with copper | 分子名称: | COPPER (II) ION, UNKNOWN ATOM OR ION, thiocyanate dehydrogenase | 著者 | Shabalin, I.G, Osipov, E, Tikhonova, T.V, Rakitina, T.V, Boyko, K.M, Popov, V.O. | 登録日 | 2019-11-05 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Trinuclear copper biocatalytic center forms an active site of thiocyanate dehydrogenase. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5RSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsc by Molmil](/molmil-images/mine/5rsc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754 | 分子名称: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 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
|
|
5RSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsu by Molmil](/molmil-images/mine/5rsu) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055 | 分子名称: | Non-structural protein 3, salicylamide | 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
|
|
5RTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtb by Molmil](/molmil-images/mine/5rtb) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965 | 分子名称: | 3-Hydroxyhippuric 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
|
|
5WAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wau by Molmil](/molmil-images/mine/5wau) | Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Fromme, R, Ishigami, I, Yeh, S.Y, Zatsepin, N, Grant, T, Fromme, P, Rousseau, D. | 登録日 | 2017-06-27 | 公開日 | 2017-08-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5RTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rts by Molmil](/molmil-images/mine/5rts) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004 | 分子名称: | 5-phenylpyridine-3-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
|
|
5RU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ru8 by Molmil](/molmil-images/mine/5ru8) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817 | 分子名称: | ISOQUINOLIN-1-AMINE, 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
|
|
5RUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rup by Molmil](/molmil-images/mine/5rup) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927 | 分子名称: | Non-structural protein 3, [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid | 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
|
|
3HS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hs0 by Molmil](/molmil-images/mine/3hs0) | Cobra Venom Factor (CVF) in complex with human factor B | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ... | 著者 | Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P. | 登録日 | 2009-06-10 | 公開日 | 2009-07-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex Embo J., 28, 2009
|
|
5RV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv6 by Molmil](/molmil-images/mine/5rv6) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540 | 分子名称: | 1,3-benzodioxole-5-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
|
|
6HY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hy0 by Molmil](/molmil-images/mine/6hy0) | Atomic models of P1, P4 C-terminal fragment and P8 fitted in the bacteriophage phi6 nucleocapsid reconstructed with icosahedral symmetry | 分子名称: | Major Outer Capsid Protein P8, Major inner protein P1, Packaging Enzyme P4 | 著者 | El Omari, K, Ilca, S.L, Stuart, D.I, Huiskonen, J.T. | 登録日 | 2018-10-18 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Multiple liquid crystalline geometries of highly compacted nucleic acid in a dsRNA virus. Nature, 570, 2019
|
|
6OC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oc7 by Molmil](/molmil-images/mine/6oc7) | HMP42 Fab in complex with Protein G | 分子名称: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | 著者 | Bernard, S.M, Wilson, I.A. | 登録日 | 2019-03-22 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.296 Å) | 主引用文献 | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
|
|
5RVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rvh by Molmil](/molmil-images/mine/5rvh) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642 | 分子名称: | Non-structural protein 3, quinoline-3-carboxylic acid | 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 (0.98 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
|
|
8BP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bp8 by Molmil](/molmil-images/mine/8bp8) | SPA of Trypsin untreated Rotavirus TLP spike | 分子名称: | CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ... | 著者 | Shah, P.N.M, Stuart, D.I. | 登録日 | 2022-11-16 | 公開日 | 2023-04-05 | 最終更新日 | 2023-04-26 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography. Cell Host Microbe, 31, 2023
|
|
5JJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jje by Molmil](/molmil-images/mine/5jje) | Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | 登録日 | 2016-04-23 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
|
|
8BT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bt6 by Molmil](/molmil-images/mine/8bt6) | |