4NME
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4HUO
| Structure of Ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanine | Descriptor: | N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine, Ricin | Authors: | Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D. | Deposit date: | 2012-11-02 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Peptide-conjugated pterins as inhibitors of ricin toxin A. J.Med.Chem., 56, 2013
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4I7K
| T4 Lysozyme L99A/M102H with toluene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4HUT
| Structure of ATP:co(I)rrinoid adenosyltransferase (CobA) from Salmonella enterica in complex with four and five-coordinate cob(II)alamin and ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ... | Authors: | Moore, T.C, Newmister, S.A, Rayment, I, Escalante-Semerena, J.C. | Deposit date: | 2012-11-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into the Mechanism of Four-Coordinate Cob(II)alamin Formation in the Active Site of the Salmonella enterica ATP:Co(I)rrinoid Adenosyltransferase Enzyme: Critical Role of Residues Phe91 and Trp93. Biochemistry, 51, 2012
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3Q0X
| N-terminal coiled-coil dimer domain of C. reinhardtii SAS-6 homolog Bld12p | Descriptor: | Centriole protein | Authors: | Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. | Deposit date: | 2010-12-16 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis of the 9-fold symmetry of centrioles. Cell(Cambridge,Mass.), 144, 2011
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3PVU
| Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101) | Descriptor: | 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thal, D.M, Tesmer, J.J. | Deposit date: | 2010-12-07 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
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4NR3
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4HVL
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4NCC
| Neutralizing antibody to murine norovirus | Descriptor: | Fab fragment heavy, Fab fragment light | Authors: | Smith, T, Li, M. | Deposit date: | 2013-10-24 | Release date: | 2014-02-19 | Last modified: | 2014-04-09 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization. J.Virol., 88, 2014
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3DX0
| Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75 | Descriptor: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuntz, D.A, Rose, D.R. | Deposit date: | 2008-07-23 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem, 10, 2009
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3PX6
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4HVJ
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3DKH
| L559A mutant of Melanocarpus albomyces laccase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hakulinen, N, Rouvinen, J. | Deposit date: | 2008-06-25 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Essential role of the C-terminus in Melanocarpus albomyces laccase for enzyme production, catalytic properties and structure Febs J., 276, 2009
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4HVU
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3DL9
| Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2 | Descriptor: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.721 Å) | Cite: | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2. To be Published
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3DLM
| Crystal structure of Tudor domain of human Histone-lysine N-methyltransferase SETDB1 | Descriptor: | Histone-lysine N-methyltransferase SETDB1 | Authors: | Amaya, M.F, Dombrovski, L, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-27 | Release date: | 2008-08-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The crystal structure of Tudor domain of human Histone-lysine N-methyltransferase SETDB1. To be Published
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4NFL
| Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T | Descriptor: | 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2013-10-31 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.375 Å) | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
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3PKB
| M. tuberculosis MetAP with bengamide analog Y16, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Ye, Q.Z, Lu, J.P. | Deposit date: | 2010-11-11 | Release date: | 2011-04-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives. Chemmedchem, 6, 2011
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4NHB
| Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate | Descriptor: | IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-11-04 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4NHY
| Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA) | Descriptor: | 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Horita, S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-11-05 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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5RS7
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676 | Descriptor: | 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 | 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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3GKB
| Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis | Descriptor: | GLYCEROL, Putative enoyl-CoA hydratase | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-03-10 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis To be Published
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5RSS
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828 | Descriptor: | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, 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 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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5RT9
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280 | Descriptor: | 2-hydroxy-5-methylbenzoic acid, DIMETHYL SULFOXIDE, 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 (1.01 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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4NL1
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