8T1D
 
 | | Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD | | 分子名称: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera | | 著者 | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | 登録日 | 2023-06-02 | | 公開日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
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5AY3
 | | Crystal structure of RNA duplex containing C-C base pairs | | 分子名称: | RNA (5'-R(*GP*GP*AP*CP*UP*(CBR)P*GP*A*CP*UP*CP*C)-3') | | 著者 | Kondo, J, Tada, Y, Dairaku, T, Saneyoshi, H, Okamoto, I, Tanaka, Y, Ono, A. | | 登録日 | 2015-08-06 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | High-Resolution Crystal Structure of a Silver(I)-RNA Hybrid Duplex Containing Watson-Crick-like CSilver(I)C Metallo-Base Pairs
Angew.Chem.Int.Ed.Engl., 54, 2015
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6FSP
 | | Crystal structure of APRT from Thermus thermophilus | | 分子名称: | PRPP-binding protein, adenine/guanine phosphoribosyltransferase | | 著者 | Timofeev, V.I, Sinitsyna, E.V, Kostromina, M.A, Muravieva, T.I, Makarov, D.A, Mikheeva, O.O, Kuranova, I.P, Esipov, R.S. | | 登録日 | 2018-02-20 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of APRT from Thermus thermophilus
To Be Published
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2YM4
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | 登録日 | 2011-06-06 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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1A7S
 | | ATOMIC RESOLUTION STRUCTURE OF HBP | | 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, CHLORIDE ION, ... | | 著者 | Karlsen, S, Iversen, L.F, Larsen, I.K, Flodgaard, H.J, Kastrup, J.S. | | 登録日 | 1998-03-17 | | 公開日 | 1999-03-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Atomic resolution structure of human HBP/CAP37/azurocidin.
Acta Crystallogr.,Sect.D, 54, 1998
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4UOR
 | | Structure of lipoteichoic acid synthase LtaS from Listeria monocytogenes in complex with glycerol phosphate | | 分子名称: | (2R)-2,3-dihydroxypropyl phosphate, LIPOTEICHOIC ACID SYNTHASE, MAGNESIUM ION | | 著者 | Campeotto, I, Freemont, P, Grundling, A. | | 登録日 | 2014-06-09 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system.
J. Biol. Chem., 289, 2014
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5OP6
 | | Factor Inhibiting HIF (FIH) in complex with zinc and GSK128863 | | 分子名称: | 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Leissing, T.M, Schofield, C.J, Clifton, I.J, Thinnes, C.C, Lu, X. | | 登録日 | 2017-08-09 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5S18
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461 | | 分子名称: | 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Non-structural protein 3 | | 著者 | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | 登録日 | 2020-11-02 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.13 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
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8ONG
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1G6R
 | | A FUNCTIONAL HOT SPOT FOR ANTIGEN RECOGNITION IN A SUPERAGONIST TCR/MHC COMPLEX | | 分子名称: | ALPHA T CELL RECEPTOR, BETA T CELL RECEPTOR, BETA-2 MICROGLOBULIN, ... | | 著者 | Degano, M, Garcia, K.C, Apostolopoulos, V, Rudolph, M.G, Teyton, L, Wilson, I.A. | | 登録日 | 2000-11-07 | | 公開日 | 2000-11-15 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A functional hot spot for antigen recognition in a superagonist TCR/MHC complex.
Immunity, 12, 2000
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5RSN
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576 | | 分子名称: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic 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
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5RT3
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982 | | 分子名称: | 1-benzothiophen-2-ylacetic 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 (1.05 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
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5RSJ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3 | | 分子名称: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-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
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5RTK
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504 | | 分子名称: | 1,3-benzodioxol-5-ol, 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
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6WJ1
 | | Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin | | 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, Fab 54-4H03 heavy chain, ... | | 著者 | Wu, N.C, Wilson, I.A. | | 登録日 | 2020-04-11 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.503 Å) | | 主引用文献 | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
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5RT0
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 | | 分子名称: | 6-methyl-1H-indole-2-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
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5RTH
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863 | | 分子名称: | 3-chlorobenzoate, 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
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5RU1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687 | | 分子名称: | DIPHENYLACETIC 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
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5RTZ
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062 | | 分子名称: | 3-FLUORO-4-HYDROXYBENZOIC 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
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5RUI
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651 | | 分子名称: | Non-structural protein 3, isoquinolin-1(2H)-one | | 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
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5RUF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831 | | 分子名称: | 6-chloro-1,3-benzothiazol-2-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
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5RUX
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050 | | 分子名称: | 1,3-dihydro-2H-indol-2-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
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5RUV
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194 | | 分子名称: | 1-(pyridin-2-yl)-1,4-diazepane, 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
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5RVF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3 | | 分子名称: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-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
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5RVB
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577 | | 分子名称: | 2-aminopteridine-4,7(3H,8H)-dione, 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
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