1C0Q
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![BU of 1c0q by Molmil](/molmil-images/mine/1c0q) | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | 分子名称: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | 著者 | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | 登録日 | 1999-07-20 | 公開日 | 1999-07-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding. J.Med.Chem., 42, 1999
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5RTF
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![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
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5RTU
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![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
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5RUA
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![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
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5RUQ
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![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
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5RV4
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![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
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2OFR
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![BU of 2ofr by Molmil](/molmil-images/mine/2ofr) | |
1HJ8
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![BU of 1hj8 by Molmil](/molmil-images/mine/1hj8) | 1.00 AA Trypsin from Atlantic Salmon | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Leiros, H.-K.S, Mcsweeney, S.M, Smalas, A.O. | 登録日 | 2001-01-09 | 公開日 | 2002-01-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage Acta Crystallogr.,Sect.D, 57, 2001
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3DW6
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![BU of 3dw6 by Molmil](/molmil-images/mine/3dw6) | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-SECH3 modified | 分子名称: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | 著者 | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | 登録日 | 2008-07-21 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | A fast selenium derivatization strategy for crystallization and phasing of RNA structures. Rna, 15, 2009
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3VIF
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![BU of 3vif by Molmil](/molmil-images/mine/3vif) | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with gluconolactone | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, CHLORIDE ION, ... | 著者 | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | 登録日 | 2011-10-03 | 公開日 | 2012-07-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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3NE0
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![BU of 3ne0 by Molmil](/molmil-images/mine/3ne0) | |
2EWI
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![BU of 2ewi by Molmil](/molmil-images/mine/2ewi) | |
2ERL
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![BU of 2erl by Molmil](/molmil-images/mine/2erl) | PHEROMONE ER-1 FROM | 分子名称: | ETHANOL, MATING PHEROMONE ER-1 | 著者 | Anderson, D.H, Weiss, M.S, Eisenberg, D. | 登録日 | 1995-12-20 | 公開日 | 1996-07-11 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | A challenging case for protein crystal structure determination: the mating pheromone Er-1 from Euplotes raikovi. Acta Crystallogr.,Sect.D, 52, 1996
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4NLF
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![BU of 4nlf by Molmil](/molmil-images/mine/4nlf) | |
4DP9
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![BU of 4dp9 by Molmil](/molmil-images/mine/4dp9) | The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 6.0 | 分子名称: | COPPER (II) ION, Plastocyanin A, chloroplastic | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | 登録日 | 2012-02-13 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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1OD3
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![BU of 1od3 by Molmil](/molmil-images/mine/1od3) | Structure of CSCBM6-3 From Clostridium stercorarium in complex with laminaribiose | 分子名称: | ACETIC ACID, CALCIUM ION, PUTATIVE XYLANASE, ... | 著者 | Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilburn, D.G, Rose, D.R, Davies, G.J. | 登録日 | 2003-02-12 | 公開日 | 2003-03-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structure and Ligand Binding of Carbohydrate-Binding Module Cscbm6-3 Reveals Similarities with Fucose-Specific Lectins and Galactose-Binding Domains J.Mol.Biol., 327, 2003
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4DRQ
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![BU of 4drq by Molmil](/molmil-images/mine/4drq) | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | 著者 | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | 登録日 | 2012-02-17 | 公開日 | 2012-04-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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7K9C
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![BU of 7k9c by Molmil](/molmil-images/mine/7k9c) | |
6MZ1
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![BU of 6mz1 by Molmil](/molmil-images/mine/6mz1) | |
1DJ6
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![BU of 1dj6 by Molmil](/molmil-images/mine/1dj6) | COMPLEX OF A Z-DNA HEXAMER, D(CG)3, WITH SYNTHETIC POLYAMINE AT ROOM TEMPERATURE | 分子名称: | 5'-D(*CP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE | 著者 | Ohishi, H, Tomita, K.-i, Nakanishi, I, Ohtsuchi, M, Hakoshima, T, Rich, A. | 登録日 | 1999-12-01 | 公開日 | 1999-12-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | The crystal structure of N1-[2-(2-amino-ethylamino)-ethyl]-ethane-1,2-diamine (polyamines) binding to the minor groove of d(CGCGCG)2, hexamer at room temperature FEBS Lett., 523, 2002
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3X2G
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![BU of 3x2g by Molmil](/molmil-images/mine/3x2g) | X-ray structure of PcCel45A N92D apo form at 100K | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | 著者 | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-07 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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5E1N
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![BU of 5e1n by Molmil](/molmil-images/mine/5e1n) | Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia qFit disorder model | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | 著者 | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | 登録日 | 2015-09-29 | 公開日 | 2015-11-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin. Acta Crystallogr D Struct Biol, 72, 2016
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5RSU
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![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
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5RTS
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![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
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5RU8
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![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
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