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5RVQ
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153
分子名称: 5-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3
著者Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-10-02
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.08 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
3BRH
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Protein Tyrosine Phosphatase PTPN-22 (Lyp) bound to the mono-Phosphorylated Lck active site peptide
分子名称: Lck Active Site Peptide, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 22
著者Seidel, R.D, Love, J, Piserchio, A, Cowburn, D.
登録日2007-12-21
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lyp/PTPN22 Phosphatase Domain: Substrate Recognition and Specificity for Src family kinases
To be Published
3BIL
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BU of 3bil by Molmil
Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum
分子名称: Probable LacI-family transcriptional regulator
著者Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-11-30
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum.
To be Published
3BGH
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Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori
分子名称: Putative neuraminyllactose-binding hemagglutinin homolog, SULFATE ION
著者Bonanno, J.B, Dickey, J, Bain, K.T, McKenzie, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-11-26
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori.
To be Published
3BGM
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Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E.
登録日2007-11-27
公開日2008-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
5J8B
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BU of 5j8b by Molmil
Crystal structure of Elongation Factor 4 (EF-4/LepA) in complex with GDPCP bound to the Thermus thermophilus 70S ribosome
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Gagnon, M.G, Lin, J, Steitz, T.A.
登録日2016-04-07
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Elongation factor 4 remodels the A-site tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 113, 2016
3BGS
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Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, purine nucleoside phosphorylase
著者Murkin, A.S, Ramagopal, U.A, Almo, S.C, Schramm, V.L.
登録日2007-11-27
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase
J.Am.Chem.Soc., 130, 2008
3BHH
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BU of 3bhh by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B)
分子名称: Calcium/calmodulin-dependent protein kinase type II beta chain, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
著者Filippakopoulos, P, Rellos, P, Niesen, F, Burgess, N, Bullock, A, Berridge, G, Pike, A.C.W, Ugochukwu, E, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-11-28
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B).
To be Published
3B2J
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Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
5RTC
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BU of 5rtc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906
分子名称: 1H-benzimidazole-2-sulfonamide, 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 (1.06 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
5RTR
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BU of 5rtr by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763
分子名称: Non-structural protein 3, SALICYLHYDROXAMIC 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
5RU4
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638
分子名称: 2-methyl-1,3-thiazole-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2023-11-15
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
5RUK
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692
分子名称: 2-(1,2-benzoxazol-3-yl)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 (1.05 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
5RV1
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BU of 5rv1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609
分子名称: Non-structural protein 3, trifluoroacetic 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
3C00
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BU of 3c00 by Molmil
Crystal structural of the mutated G247T EscU/SpaS C-terminal domain
分子名称: EscU
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BT4
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BU of 3bt4 by Molmil
Crystal Structure Analysis of AmFPI-1, fungal protease inhibitor from Antheraea mylitta
分子名称: Fungal protease inhibitor-1, GLYCEROL
著者Roy, S, Aravind, P, Madhurantakam, C, Ghosh, A.K, Sankarananarayanan, R, Das, A.K.
登録日2007-12-27
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a fungal protease inhibitor from Antheraea mylitta
J.Struct.Biol., 166, 2009
3BM4
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BU of 3bm4 by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr
分子名称: ADP-sugar pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MAGNESIUM ION
著者Zha, M, Guo, Q, Zhang, Y, Zhong, C, Ou, Y, Ding, J.
登録日2007-12-12
公開日2008-05-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Mechanism of ADP-Ribose Hydrolysis By Human NUDT5 From Structural and Kinetic Studies
J.Mol.Biol., 379, 2008
3BVU
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GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-01-07
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVQ
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Crystal Structure of Apo NotI Restriction Endonuclease
分子名称: FE (III) ION, NotI restriction endonuclease, SULFATE ION
著者Lambert, A.R, Sussman, D, Shen, B, Stoddard, B.L.
登録日2008-01-07
公開日2008-01-22
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of the Rare-Cutting Restriction Endonuclease NotI Reveal a Unique Metal Binding Fold Involved in DNA Binding.
Structure, 16, 2008
3BO2
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A relaxed active site following exon ligation by a group I intron
分子名称: Group I intron P9, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*G)-3'), ...
著者Lipchock, S.V, Strobel, S.A.
登録日2007-12-17
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献A relaxed active site after exon ligation by the group I intron
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BXS
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BU of 3bxs by Molmil
Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
分子名称: (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid, Protease, SULFATE ION
著者Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
登録日2008-01-14
公開日2008-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
3BRU
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Crystal structure of regulatory protein TetR from Rhodobacter sphaeroides
分子名称: Regulatory protein, TetR family
著者Osipiuk, J, Maltseva, N, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-12-21
公開日2008-01-08
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of regulatory protein TetR from Rhodobacter sphaeroides.
To be Published
3BZC
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Crystal Structure of the Tex protein from Pseudomonas aeruginosa, crystal form I
分子名称: Tex
著者Johnson, S.J, Close, D, Hill, C.P.
登録日2008-01-17
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure and RNA binding of the Tex protein from Pseudomonas aeruginosa.
J.Mol.Biol., 377, 2008
3BS7
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Crystal structure of the Sterile Alpha Motif (SAM) domain of Hyphen/Aveugle
分子名称: Protein aveugle
著者Rajakulendran, T, Sicheri, F.
登録日2007-12-22
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CNK and HYP form a discrete dimer by their SAM domains to mediate RAF kinase signaling.
Proc.Natl.Acad.Sci.USA, 105, 2008
3BZT
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Crystal structural of the mutated P263A EscU C-terminal domain
分子名称: EscU
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008

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