Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Journal, issue, pages	Eur. J. Med. Chem., Vol. 234, Page 114270-114270, Year 2022
Publish date	Dec 1, 2021 (structure data deposition date)
Authors	Nain-Perez, A. / Foller Fuchtbauer, A. / Haversen, L. / Lulla, A. / Gao, C. / Matic, J. / Monjas, L. / Rodriguez, A. / Brear, P. / Kim, W. ...Nain-Perez, A. / Foller Fuchtbauer, A. / Haversen, L. / Lulla, A. / Gao, C. / Matic, J. / Monjas, L. / Rodriguez, A. / Brear, P. / Kim, W. / Hyvonen, M. / Boren, J. / Mardinoglu, A. / Uhlen, M. / Grotli, M.
External links	Eur. J. Med. Chem. / PubMed:35290845
Methods	X-ray diffraction
Resolution	1.685 - 2.354 Å
Structure data	PDB-5sc8: Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 Method: X-RAY DIFFRACTION / Resolution: 1.77 Å PDB-5sc9: Structure of liver pyruvate kinase in complex with anthraquinone derivative 29 Method: X-RAY DIFFRACTION / Resolution: 1.685 Å PDB-5sca: Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 Method: X-RAY DIFFRACTION / Resolution: 1.918 Å PDB-5scb: Structure of liver pyruvate kinase in complex with anthraquinone derivative 28 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-5scc: Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 Method: X-RAY DIFFRACTION / Resolution: 1.885 Å PDB-5scd: Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 Method: X-RAY DIFFRACTION / Resolution: 2.041 Å PDB-5sce: Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 Method: X-RAY DIFFRACTION / Resolution: 2.147 Å PDB-5scf: Structure of liver pyruvate kinase in complex with anthraquinone derivative 99 Method: X-RAY DIFFRACTION / Resolution: 2.185 Å PDB-5scg: Structure of liver pyruvate kinase in complex with anthraquinone derivative 101 Method: X-RAY DIFFRACTION / Resolution: 1.937 Å PDB-5sch: Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 Method: X-RAY DIFFRACTION / Resolution: 2.089 Å PDB-5sci: Structure of liver pyruvate kinase in complex with anthraquinone derivative 105 Method: X-RAY DIFFRACTION / Resolution: 2.155 Å PDB-5scj: Structure of liver pyruvate kinase in complex with anthraquinone derivative 106 Method: X-RAY DIFFRACTION / Resolution: 2.354 Å PDB-5sck: Structure of liver pyruvate kinase in complex with anthraquinone derivative 42 Method: X-RAY DIFFRACTION / Resolution: 1.717 Å PDB-5scl: Structure of liver pyruvate kinase in complex with anthraquinone derivative 1 Method: X-RAY DIFFRACTION / Resolution: 2.134 Å PDB-5sdt: Structure of liver pyruvate kinase in complex with anthraquinone derivative 15 Method: X-RAY DIFFRACTION / Resolution: 1.944 Å PDB-7qdn: Structure of human liver pyruvate kinase from which the B domain has been deleted Method: X-RAY DIFFRACTION / Resolution: 1.695 Å PDB-7qzu: Structure of liver pyruvate kinase in complex with anthraquinone derivative 47 Method: X-RAY DIFFRACTION / Resolution: 1.964 Å
Chemicals	ChemComp-FBP: 1,6-di-O-phosphono-beta-D-fructofuranose ChemComp-OXL: OXALATE ION ChemComp-E6K: 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid ChemComp-MG: Unknown entry ChemComp-K: Unknown entry ChemComp-HOH: WATER ChemComp-I7K: 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid ChemComp-I7N: N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid ChemComp-I7V: (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid ChemComp-I8Q: 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid ChemComp-I8U: 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid ChemComp-I8Y: 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid ChemComp-I91: N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine ChemComp-I99: (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid ChemComp-I9C: methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate ChemComp-I9F: dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate ChemComp-I9K: (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid ChemComp-I9N: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione ChemComp-AZN: ALIZARIN RED ChemComp-I9Q: N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine ChemComp-OXD: OXALIC ACID ChemComp-NA: Unknown entry ChemComp-I4L: (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Source	homo sapiens (human)
Keywords	TRANSFERASE/TRANSFERASE inhibitor / Pyruvate kinase / active site / inhibition / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex / PKL / GLYCOLYSIS