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6NS0	Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Cladosporin Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2019-01-24 Release date: 2019-02-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Cladosporin to be published
7QDI	Structure of octameric left-handed 310-helix bundle: D-310HD Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ... Authors: Kumar, P, Paterson, N.G, Woolfson, D.N. Deposit date: 2021-11-27 Release date: 2022-04-27 Last modified: 2022-07-27 Method: X-RAY DIFFRACTION (2.34 Å) Cite: De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
6NI5	Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant Descriptor: Isonitrile hydratase InhA Authors: Wilson, M.A, Dasgupta, M, van den Bedem, H. Deposit date: 2018-12-26 Release date: 2019-11-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis. Proc.Natl.Acad.Sci.USA, 116, 2019
6U3T	Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus Descriptor: Alpha-hemolysin, SULFATE ION, fos-choline-14 Authors: Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. Deposit date: 2019-08-22 Release date: 2020-03-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
6U4P	Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus Descriptor: Alpha-hemolysin, SULFATE ION, fos-choline-14 Authors: Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. Deposit date: 2019-08-26 Release date: 2020-03-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
5D1C	Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... Authors: Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. Deposit date: 2015-08-04 Release date: 2015-10-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.422 Å) Cite: Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
6NI6	Pseudomonas fluorescens isocyanide hydratase at 274 K Descriptor: Isonitrile hydratase InhA Authors: Wilson, M.A, Dasgupta, M, van den Bedem, H. Deposit date: 2018-12-26 Release date: 2019-11-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.201 Å) Cite: Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis. Proc.Natl.Acad.Sci.USA, 116, 2019
2ZXE	Crystal structure of the sodium - potassium pump in the E2.2K+.Pi state Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... Authors: Shinoda, T, Ogawa, H, Cornelius, F, Toyoshima, C. Deposit date: 2008-12-22 Release date: 2009-05-19 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of the sodium - potassium pump at 2.4 A resolution Nature, 459, 2009
6NLL	1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) Descriptor: 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... Authors: Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. Deposit date: 2019-01-08 Release date: 2019-05-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
5DC7	Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
6NRZ	Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Adenosine Descriptor: 1,2-ETHANEDIOL, ADENOSINE, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2019-01-24 Release date: 2019-02-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Adenosine to be published
3PVD	Crystal structure of P domain dimer of Norovirus VA207 complexed with 3'-sialyl-Lewis x tetrasaccharide Descriptor: Capsid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose Authors: Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. Deposit date: 2010-12-06 Release date: 2011-08-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens Plos Pathog., 7, 2011
6NLK	1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13) Descriptor: 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... Authors: Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. Deposit date: 2019-01-08 Release date: 2019-05-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
5DC8	Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
7QOD	Native structure of a small alarmone hydrolase (RelH) from Corynebacterium glutamicum Descriptor: Guanosine polyphosphate pyrophosphohydrolases/synthetases, MANGANESE (II) ION, TETRAETHYLENE GLYCOL Authors: Bisiak, F, Brodersen, D.E, Chrenkova, A. Deposit date: 2021-12-23 Release date: 2022-07-13 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural variations between small alarmone hydrolase dimers support different modes of regulation of the stringent response. J.Biol.Chem., 298, 2022
6NYX	Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI Descriptor: DI(HYDROXYETHYL)ETHER, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL Authors: Outlaw, V.K, Kreitler, D.F, Gellman, S.H. Deposit date: 2019-02-12 Release date: 2019-07-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent. J.Am.Chem.Soc., 141, 2019
5UDK	IFIT1 monomeric mutant (L457E/L464E) with PPP-AAAA Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B. Deposit date: 2016-12-27 Release date: 2017-03-01 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3A3Y	Crystal structure of the sodium-potassium pump with bound potassium and ouabain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, MAGNESIUM ION, ... Authors: Ogawa, H, Shinoda, T, Cornelius, F, Toyoshima, C. Deposit date: 2009-06-23 Release date: 2009-09-08 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of the sodium-potassium pump (Na+,K+-ATPase) with bound potassium and ouabain. Proc.Natl.Acad.Sci.USA, 106, 2009
4Z7Q	Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Lin, F.-Y, Zhu, J, Springer, T.A. Deposit date: 2015-04-07 Release date: 2015-12-16 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
7Q5C	Crystal structure of OmpG in space group 96 Descriptor: Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ... Authors: Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R. Deposit date: 2021-11-03 Release date: 2022-11-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.717 Å) Cite: Experimental phase diagrams to optimise OmpG To Be Published
8ZLV	Asymmetric Dimeric Structure of the Catalytic Domain in Truncated Threonine Deaminase Descriptor: L-threonine dehydratase biosynthetic IlvA Authors: Khodi, S. Deposit date: 2024-05-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Engineering Threonine Deaminase Catalytic Domain into a Tetrameric Configuration, Independent of Allosteric Regulation To Be Published
4DCL	Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23 Descriptor: Putative acetyltransferase SACOL2570 Authors: Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. Deposit date: 2012-01-17 Release date: 2012-06-06 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.35 Å) Cite: Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
6KR4	Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex Descriptor: HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ... Authors: Xie, X, Liang, M, Luo, L, Wei, Z. Deposit date: 2019-08-20 Release date: 2020-01-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity. Nat Commun, 11, 2020
7QLJ	Trans structure of rsKiiro Illuminated at 290 K Descriptor: SULFATE ION, rsKiiro Authors: van Thor, J.J, Baxter, J.M. Deposit date: 2021-12-20 Release date: 2022-11-09 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Optical control of ultrafast structural dynamics in a fluorescent protein. Nat.Chem., 15, 2023
8D9Y	Crystal structure of Taipan alpha-neurotoxin in complex with Centi-LNX-D09 antibody Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-LNX-D09 Fab heavy chain, ... Authors: Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. Deposit date: 2022-06-12 Release date: 2023-06-14 Last modified: 2024-09-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Venom protection by antibody from a snakebite hyperimmune subject To Be Published

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