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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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
 | | 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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2EWI
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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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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
 | | 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
 | | 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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6MZ1
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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