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3DW6
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BU of 3dw6 by Molmil
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
4ZGF
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BU of 4zgf by Molmil
Crystal structure of a duf4847 family protein (BVU_2626) from Bacteroides vulgatus ATCC 8482 at 1.00 A resolution
分子名称: ACETATE ION, BENZOIC ACID, CALCIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2015-04-22
公開日2015-05-06
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal structure of a duf4847 family protein (BVU_2626) from Bacteroides vulgatus ATCC 8482 at 1.00 A resolution
To be published
3P8J
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BU of 3p8j by Molmil
Y351S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-14
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Active site modifications in pentaerythritol tetranitrate reductase can lead to improved product enantiopurity, decreased by-product formation and altered stereochemical outcome in reactions with a,b-unsaturated nitroolefins
Catalysis Science and Technology, 2011
3HYD
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BU of 3hyd by Molmil
LVEALYL peptide derived from human insulin chain B, residues 11-17
分子名称: Insulin
著者Ivanova, M.I, Sawaya, M.R, Eisenberg, D.
登録日2009-06-22
公開日2009-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Molecular basis for insulin fibril assembly.
Proc.Natl.Acad.Sci.USA, 106, 2009
5RTF
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BU of 5rtf by Molmil
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
5RTU
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BU of 5rtu by Molmil
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
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BU of 5rua by Molmil
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
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BU of 5ruq by Molmil
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
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BU of 5rv4 by Molmil
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
1SY3
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BU of 1sy3 by Molmil
1.00 A Crystal Structure of D30N Mutant of Nitrophorin 4 from Rhodnius Prolixus Complexed with Nitric Oxide
分子名称: NITRIC OXIDE, Nitrophorin 4, PHOSPHATE ION, ...
著者Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R.
登録日2004-03-31
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4
Biochemistry, 43, 2004
5RSU
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BU of 5rsu by Molmil
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
5RTS
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BU of 5rts by Molmil
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
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BU of 5ru8 by Molmil
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
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BU of 5rup by Molmil
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
4NIV
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BU of 4niv by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL
著者Schoepfel, M, Parthier, C, Stubbs, M.T.
登録日2013-11-08
公開日2014-02-19
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
5RV6
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BU of 5rv6 by Molmil
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
4TXR
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BU of 4txr by Molmil
Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM and CHMP5 MIM
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Charged multivesicular body protein 1b, ...
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
6V7H
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BU of 6v7h by Molmil
Structure of CTX-M-14 bound to Vaborbactam at 1.0 A
分子名称: 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-12-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
5RS7
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BU of 5rs7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676
分子名称: 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-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
5RSS
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BU of 5rss by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828
分子名称: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, 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
5RTP
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BU of 5rtp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336
分子名称: 2-oxidanylidene-2-phenylazanyl-ethanoic 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
5RU7
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BU of 5ru7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110
分子名称: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, 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
5RUM
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BU of 5rum by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082
分子名称: 3-(3-oxo-3,4-dihydroquinoxalin-2-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
2QSK
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BU of 2qsk by Molmil
Atomic-resolution crystal structure of the Recombinant form of Scytovirin
分子名称: CHLORIDE ION, GLYCEROL, scytovirin
著者Moulaei, T, Botos, I, Ziolkowska, N.E, Dauter, Z, Wlodawer, A.
登録日2007-07-31
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic-resolution crystal structure of the antiviral lectin scytovirin.
Protein Sci., 16, 2007
4BJ0
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BU of 4bj0 by Molmil
Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses
分子名称: CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ...
著者Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M.
登録日2013-04-15
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions.
Proteins, 82, 2014

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