Legacy flatfile-incompatible PDB entries

7OJG	CRYO-EM STRUCTURE OF UNDECAMERIC SLYB FROM ESCHERICHIA COLI K12 Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, GLYCEROL, ... Authors: Nguyen, V.S, Remaut, H. Deposit date: 2021-05-14 Release date: 2022-08-03 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains Nature, 2023
7OJM	CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... Authors: Bui, S, Steiner, R.A. Deposit date: 2021-05-16 Release date: 2022-06-01 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
7OJO	Tankyrase 2 in complex with two small molecule fragments Descriptor: 4-acetamido-~{N}-(2-methoxyphenyl)benzamide, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... Authors: Sowa, S.T, Lehtio, L. Deposit date: 2021-05-17 Release date: 2022-06-01 Last modified: 2025-06-25 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Deconstruction of Dual-Site Tankyrase Inhibitors Provides Insights into Binding Energetics and Suggests Critical Hotspots for Ligand Optimization. J.Med.Chem., 68, 2025
7OK6	Crystal structure of UNC119B in complex with LCK peptide Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, LCK peptide, ... Authors: Yelland, T, Ismail, S. Deposit date: 2021-05-17 Release date: 2021-06-09 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.949 Å) Cite: The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms. Biochemistry, 60, 2021
7OK8	Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2021-05-17 Release date: 2022-06-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur.J.Med.Chem., 225, 2021
7OKO	Structure of the outer-membrane core complex (outer ring) from a conjugative type IV secretion system Descriptor: TraB, Type IV conjugative transfer system lipoprotein TraV, Type-F conjugative transfer system secretin TraK Authors: Amin, H, Ilangovan, A, Costa, T.R.D. Deposit date: 2021-05-18 Release date: 2021-12-08 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Architecture of the outer-membrane core complex from a conjugative type IV secretion system. Nat Commun, 12, 2021
7OKR	Catalytic domain from the Aliivibrio salmonicida lytic polysaccharide monooxygenase AsLPMO10B Descriptor: COPPER (II) ION, Chitinase B, DI(HYDROXYETHYL)ETHER Authors: Cordara, G, Leitl, K.D, Loose, J.S.M, Vaaje-Kolstad, G, Krengel, U. Deposit date: 2021-05-18 Release date: 2022-06-01 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Chitinolytic enzymes contribute to the pathogenicity of Aliivibrio salmonicida LFI1238 in the invasive phase of cold-water vibriosis. Bmc Microbiol., 22, 2022
7OKZ	CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... Authors: Bui, S, Steiner, R.A. Deposit date: 2021-05-18 Release date: 2022-06-01 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.101 Å) Cite: Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
7OLC	Thermophilic eukaryotic 80S ribosome at idle POST state Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... Authors: Kisonaite, M, Wild, K, Sinning, I. Deposit date: 2021-05-19 Release date: 2022-01-26 Last modified: 2022-04-06 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation. Nat Commun, 13, 2022
7OLD	Thermophilic eukaryotic 80S ribosome at pe/E (TI)-POST state Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... Authors: Kisonaite, M, Wild, K, Sinning, I. Deposit date: 2021-05-19 Release date: 2022-01-26 Last modified: 2022-02-09 Method: ELECTRON MICROSCOPY (3 Å) Cite: High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation. Nat Commun, 13, 2022
7OLJ	Tankyrase 2 in complex with an inhibitor (OUL219) Descriptor: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... Authors: Sowa, S.T, Lehtio, L. Deposit date: 2021-05-20 Release date: 2021-12-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
7OLN	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose Authors: Bermeo, R, Varrot, A. Deposit date: 2021-05-20 Release date: 2022-06-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen To Be Published
7OLU	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand Descriptor: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine, Lectin Authors: Bermeo, R, Varrot, A. Deposit date: 2021-05-20 Release date: 2022-06-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.793 Å) Cite: Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin. Acs Chem.Biol., 17, 2022
7OLW	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-N-fucoside ligand Descriptor: 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose), Lectin Authors: Bermeo, R, Varrot, A. Deposit date: 2021-05-20 Release date: 2022-06-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin. Acs Chem.Biol., 17, 2022
7OM1	Tankyrase 2 in complex with an inhibitor (OUL220) Descriptor: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... Authors: Sowa, S.T, Lehtio, L. Deposit date: 2021-05-21 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
7OMC	Tankyrase 2 in complex with an inhibitor (OUL228) Descriptor: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... Authors: Sowa, S.T, Lehtio, L. Deposit date: 2021-05-21 Release date: 2021-12-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
7OMI	Bs164 in complex with mannocyclophellitol epoxide Descriptor: (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Armstrong, Z, Mcgregor, N, Davies, G. Deposit date: 2021-05-24 Release date: 2022-02-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
7OMS	Bs164 in complex with mannocyclophellitol aziridine Descriptor: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J. Deposit date: 2021-05-24 Release date: 2022-02-02 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
7OMU	Thermosipho africanus DarTG in complex with ADP-ribose Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein Authors: Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.96 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7OMV	Thermus sp. 2.9 DarT Descriptor: CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7OMW	Thermus sp. 2.9 DarT in complex with NAD+ Descriptor: DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7OMX	Thermus sp. 2.9 DarT in complex with carba-NAD+ Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7OMY	Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ... Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7OMZ	Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA and nicotinamide Descriptor: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, NICOTINAMIDE, ... Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021
7ON0	Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA Descriptor: DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Authors: Schuller, M, Ariza, A. Deposit date: 2021-05-24 Release date: 2021-06-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Molecular basis for DarT ADP-ribosylation of a DNA base. Nature, 596, 2021

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