PDB: 53102 resultsInfo pagesStatus searchChemie searchBIRD

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7U0R	Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A. Deposit date: 2022-02-18 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo. Nat.Chem., 15, 2023
7UY4	Aminoglycoside-modifying enzyme ANT-3,9 in complex with spectinomycin and AMP-PNP Descriptor: Aminoglycoside (3'') (9) adenylyltransferase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Reeve, S.M, Lee, R.E, Das, N, Jayaraman, S. Deposit date: 2022-05-06 Release date: 2023-05-10 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Characterization of the spectinomycin deactivating enzyme ANT-3,9 To Be Published
6MN8	Crystal Structure of Prolyl-tRNA Synthetase from Onchocerca volvulus with bound Halofuginone and nucleotide Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, ADENOSINE MONOPHOSPHATE, GLYCINE, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2018-10-01 Release date: 2018-10-17 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal Structure of Prolyl-tRNA Synthetase from Onchocerca volvulus with bound Halofuginone and nucleotide To Be Published
6WT6	Structure of a metazoan TIR-STING receptor from C. gigas Descriptor: Metazoan TIR-STING fusion Authors: Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. Deposit date: 2020-05-01 Release date: 2020-09-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.41 Å) Cite: STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
8Q40	Crystal structure of cA4 activated Can2 in complex with a cleaved DNA substrate Descriptor: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*CP*A)-3'), DUF1887 family protein, ... Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
8Q41	Crystal structure of Can2 (E341A) bound to cA4 and TTTAAA ssDNA Descriptor: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*AP*AP*A)-3'), DUF1887 family protein, ... Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
8Q42	Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-A DNA Descriptor: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*AP*AP*AP*A)-3'), DUF1887 family protein, ... Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
8Q43	Crystal structure of cA4-bound Can2 (E341A) in complex with oligo-C DNA Descriptor: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*CP*CP*CP*CP*C)-3'), DUF1887 family protein, ... Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
8Q44	Crystal structure of cA4-bound Can2 (E364R) in complex with oligo-T DNA Descriptor: Cyclic tetraadenosine monophosphate (cA4), DNA (5'-D(*TP*TP*T)-3'), DUF1887 family protein, ... Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
8Q3Z	Crystal structure of cA4-bound Can2 from Thermoanaerobacter brockii Descriptor: Cyclic tetraadenosine monophosphate (cA4), DUF1887 family protein, MANGANESE (II) ION Authors: Jungfer, K, Sigg, A, Jinek, M. Deposit date: 2023-08-04 Release date: 2023-11-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2. Nucleic Acids Res., 52, 2024
6K5L	The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ... Authors: Zhang, X, Lei, Z, Zheng, J, Jia, Z. Deposit date: 2019-05-29 Release date: 2019-07-03 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation. Sci Rep, 9, 2019
6XUG	Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ... Authors: Strater, N. Deposit date: 2020-01-19 Release date: 2020-04-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63, 2020
6XUQ	Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ... Authors: Strater, N. Deposit date: 2020-01-20 Release date: 2020-04-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63, 2020
6YML	Crystal structure of the SAM-SAH riboswitch with decarboxylated SAH Descriptor: 5'-S-(3-aminopropyl)-5'-thioadenosine, ADENOSINE MONOPHOSPHATE, Chains: A,C, ... Authors: Huang, L, Lilley, D.M.J. Deposit date: 2020-04-08 Release date: 2020-07-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
6YMK	Crystal structure of the SAM-SAH riboswitch with AMP Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ... Authors: Huang, L, Lilley, D.M.J. Deposit date: 2020-04-08 Release date: 2020-07-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
6X7U	Crystal Structure of the Human Nudix Hydrolase Nudt16 in complex with FAD Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ... Authors: Hamilton, K, Tong, L. Deposit date: 2020-05-30 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Mammalian Nudix proteins cleave nucleotide metabolite caps on RNAs. Nucleic Acids Res., 48, 2020
6XUE	Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ... Authors: Strater, N. Deposit date: 2020-01-19 Release date: 2020-04-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73. J.Med.Chem., 63, 2020
8JBI	SteC 202-375 mutant- C276S Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Secreted effector kinase SteC Authors: Zhang, M, Dai, Y, Li, B. Deposit date: 2023-05-09 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (2.356 Å) Cite: Salmonella manipulates macrophage cytoskeleton to penetrate gut-vascular barrier and promote dissemination during infection To Be Published
7LPY	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
7LPZ	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
7LQ0	Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3-prime - 5-prime exoribonucleases Descriptor: ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 3, GLYCEROL, ... Authors: Thapar, R, Andrew, A.S, Tainer, J.A. Deposit date: 2021-02-12 Release date: 2022-02-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structures and ribonuclease activity of the Flavivirus host factor ERI3 that is involved in viral RNA synthesis define the ERI subfamily of structure-specific 3' - 5' exoribonucleases To Be Published
6VT4	Naegleria gruberi RNA ligase R149A mutant apo Descriptor: RNA Ligase Authors: Unciuleac, M.C, Goldgur, Y, Shuman, S. Deposit date: 2020-02-12 Release date: 2020-04-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
6VTG	Naegleria gruberi RNA ligase E227A mutant apo Descriptor: RNA ligase Authors: Unciuleac, M.C, Goldgur, Y, Shuman, S. Deposit date: 2020-02-12 Release date: 2020-04-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
6VT0	Naegleria gruberi RNA ligase K170A mutant apo Descriptor: RNA Ligase Authors: Unciuleac, M.C, Goldgur, Y, Shuman, S. Deposit date: 2020-02-12 Release date: 2020-04-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.002 Å) Cite: Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation. Nucleic Acids Res., 48, 2020
6CBV	Crystal structure of BRIL bound to an affinity matured synthetic antibody. Descriptor: BRIL, FORMIC ACID, GLYCEROL, ... Authors: Mukherjee, S, Skrobek, B, Kossiakoff, A.A. Deposit date: 2018-02-05 Release date: 2019-02-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.872 Å) Cite: Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020

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