5RVQ
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153 | | Descriptor: | 5-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3 | | Authors: | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-10-02 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | 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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3BRH
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3BIL
 | | Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum | | Descriptor: | Probable LacI-family transcriptional regulator | | Authors: | 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) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum.
To be Published
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3BGH
 | | Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori | | Descriptor: | Putative neuraminyllactose-binding hemagglutinin homolog, SULFATE ION | | Authors: | 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) | | Deposit date: | 2007-11-26 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori.
To be Published
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3BGM
 | | Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | Deposit date: | 2007-11-27 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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5J8B
 | | Crystal structure of Elongation Factor 4 (EF-4/LepA) in complex with GDPCP bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Gagnon, M.G, Lin, J, Steitz, T.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Elongation factor 4 remodels the A-site tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3BGS
 | | Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate | | Descriptor: | 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 | | Authors: | Murkin, A.S, Ramagopal, U.A, Almo, S.C, Schramm, V.L. | | Deposit date: | 2007-11-27 | | Release date: | 2008-01-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase
J.Am.Chem.Soc., 130, 2008
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3BHH
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B) | | Descriptor: | 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 | | Authors: | 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) | | Deposit date: | 2007-11-28 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B).
To be Published
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3B2J
 | | Iodide derivative of human LFABP | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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5RTC
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906 | | Descriptor: | 1H-benzimidazole-2-sulfonamide, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | 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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5RTR
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763 | | Descriptor: | Non-structural protein 3, SALICYLHYDROXAMIC ACID | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 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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5RU4
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638 | | Descriptor: | 2-methyl-1,3-thiazole-5-carboxylic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 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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5RUK
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692 | | Descriptor: | 2-(1,2-benzoxazol-3-yl)ethanoic acid, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | 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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5RV1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609 | | Descriptor: | Non-structural protein 3, trifluoroacetic acid | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 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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3C00
 | | Crystal structural of the mutated G247T EscU/SpaS C-terminal domain | | Descriptor: | EscU | | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
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3BT4
 | | Crystal Structure Analysis of AmFPI-1, fungal protease inhibitor from Antheraea mylitta | | Descriptor: | Fungal protease inhibitor-1, GLYCEROL | | Authors: | Roy, S, Aravind, P, Madhurantakam, C, Ghosh, A.K, Sankarananarayanan, R, Das, A.K. | | Deposit date: | 2007-12-27 | | Release date: | 2008-12-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a fungal protease inhibitor from Antheraea mylitta
J.Struct.Biol., 166, 2009
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3BM4
 | | Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with magnesium and AMPcpr | | Descriptor: | ADP-sugar pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MAGNESIUM ION | | Authors: | Zha, M, Guo, Q, Zhang, Y, Zhong, C, Ou, Y, Ding, J. | | Deposit date: | 2007-12-12 | | Release date: | 2008-05-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Mechanism of ADP-Ribose Hydrolysis By Human NUDT5 From Structural and Kinetic Studies
J.Mol.Biol., 379, 2008
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3BVU
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3BVQ
 | | Crystal Structure of Apo NotI Restriction Endonuclease | | Descriptor: | FE (III) ION, NotI restriction endonuclease, SULFATE ION | | Authors: | Lambert, A.R, Sussman, D, Shen, B, Stoddard, B.L. | | Deposit date: | 2008-01-07 | | Release date: | 2008-01-22 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the Rare-Cutting Restriction Endonuclease NotI Reveal a Unique Metal Binding Fold Involved in DNA Binding.
Structure, 16, 2008
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3BO2
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3BXS
 | | Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2008-01-14 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
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3BRU
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3BZC
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3BS7
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3BZT
 | | Crystal structural of the mutated P263A EscU C-terminal domain | | Descriptor: | EscU | | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
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