5RVI
 
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283 | | Descriptor: | CHLORZOXAZONE, 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 (0.94 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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2QEL
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2QGR
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3DWK
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2QO7
 | | Human EphA3 kinase and juxtamembrane region, dephosphorylated, AMP-PNP bound | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor, GLYCEROL, ... | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.605 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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4H9U
 | | Structure of Geobacillus kaustophilus lactonase, wild-type with Zn2+ | | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | | Deposit date: | 2012-09-25 | | Release date: | 2012-11-07 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Biochemistry, 52, 2013
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4GW8
 | | Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-01 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
J.Med.Chem., 55, 2012
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2QOI
 | | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F double mutant | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QP2
 | | Structure of a MACPF/perforin-like protein | | Descriptor: | CALCIUM ION, Unknown protein | | Authors: | Rosado, C.J, Buckle, A.M, Law, R.H.P, Butcher, R.E, Kan, W.T, Bird, C.H, Ung, K, Browne, K.A, Baran, K, Bashtannyk-Puhalovich, T.A, Faux, N.G, Wong, W, Porter, C.J, Pike, R.N, Ellisdon, A.M, Pearce, M.C, Bottomley, S.P, Emsley, J, Smith, A.I, Rossjohn, J, Hartland, E.L, Voskoboinik, I, Trapani, J.A, Bird, P.I, Dunstone, M.A, Whisstock, J.C. | | Deposit date: | 2007-07-22 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A common fold mediates vertebrate defense and bacterial attack
Science, 317, 2007
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4GWU
 | | Crystal Structure of Fru 2,6-bisphosphate complexes of Porcine Liver Fructose-1,6-bisphosphatase with Filled Central Cavity | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | | Authors: | Gao, Y, Honzatko, R.B. | | Deposit date: | 2012-09-03 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hydrophobic Central Cavity in Fructose-1,6-bisphosphatase is Essential for the Synergism in AMP/Fru 2,6-bisphosphate Inhibition
To be Published
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2QRL
 | | Crystal Structure of Oxalylglycine-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae | | Descriptor: | N-OXALYLGLYCINE, Saccharopine dehydrogenase, NAD+, ... | | Authors: | Andi, B, Xu, H, Cook, P.F, West, A.H. | | Deposit date: | 2007-07-28 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Biochemistry, 46, 2007
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4H9F
 | | Radiation damage study of lysozyme - 0.91 MGy | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Sutton, K.A. | | Deposit date: | 2012-09-24 | | Release date: | 2013-05-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.2003 Å) | | Cite: | Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
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2QT0
 | | Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue | | Descriptor: | MAGNESIUM ION, Nicotinamide riboside, Nicotinamide riboside kinase 1, ... | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-31 | | Release date: | 2007-08-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
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3GMA
 | | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaryl-CoA | | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, glutaryl-coenzyme A | | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | | Deposit date: | 2009-03-13 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases
J.Biol.Chem., 284, 2009
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2QTG
 | | Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase | | Authors: | Siu, K.K.W, Howell, P.L. | | Deposit date: | 2007-08-02 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
J.Mol.Biol., 378, 2008
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4HA0
 | | Structure of Geobacillus kaustophilus lactonase, mutant R230D with Zn2+ | | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | | Deposit date: | 2012-09-25 | | Release date: | 2012-11-07 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Biochemistry, 52, 2013
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3GPG
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4HBO
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4HH8
 | | Crystal structure of bovine butyrophilin | | Descriptor: | Butyrophilin subfamily 1 member A1 | | Authors: | Eichinger, A, Skerra, A. | | Deposit date: | 2012-10-09 | | Release date: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The extracellular region of bovine butyrophilin exhibits high structural similarity to human myelin oligodendrocyte glycoprotein
To be Published
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3GQX
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4HF5
 | | Crystal structure of Fab 8F8 in complex a H2N2 influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8F8 heavy chain, Fab 8F8 light chain, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2012-10-04 | | Release date: | 2013-02-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.
Nat.Struct.Mol.Biol., 20, 2013
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5RSN
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576 | | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic 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 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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5RT3
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982 | | Descriptor: | 1-benzothiophen-2-ylacetic 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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5RTK
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504 | | Descriptor: | 1,3-benzodioxol-5-ol, 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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4JQP
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