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Structure paper

TitleTo be determined
Journal, issue, pagesTo be Published
Publish dateFeb 28, 2012 (structure data deposition date)
AuthorsHorton, J.R. / Liu, X. / Woodcock, C.B. / Shanks, J. / Zhang, X. / Rai, G. / Mott, B. / Jansen, D.J. / Kales, S. / Henderson, M.J. ...Horton, J.R. / Liu, X. / Woodcock, C.B. / Shanks, J. / Zhang, X. / Rai, G. / Mott, B. / Jansen, D.J. / Kales, S. / Henderson, M.J. / Pohida, K. / Fang, Y. / Hu, X. / Jadhav, A. / Maloney, D. / Hall, M.D. / Simeonov, A. / Fu, H. / Vertino, P.M. / Cheng, X.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.688 - 3 Å
Structure data

PDB-4dya:
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885986 Ligand Bound
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-4dyb:
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-883559 Ligand Bound
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4dyn:
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 Ligand Bound
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4dyp:
Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-831780 Ligand Bound
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-4dys:
Crystal Structure of Apo Swine Flu Influenza Nucleoprotein
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4dyt:
Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V)
Method: X-RAY DIFFRACTION / Resolution: 3.0 Å

PDB-5ibo:
1.95A resolution structure of NanoLuc luciferase
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6dqc:
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Method: X-RAY DIFFRACTION / Resolution: 1.755 Å

PDB-6dqd:
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Method: X-RAY DIFFRACTION / Resolution: 1.987 Å

PDB-6dqe:
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Method: X-RAY DIFFRACTION / Resolution: 1.689 Å

PDB-6dqf:
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.688 Å

PDB-7rt0:
1.80 A resolution structure of MAO from P. nicotinovorans in complex with FAD
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7ugb:
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-0MF:
N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-0MH:
N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide

ChemComp-0MR:
N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide

ChemComp-0MS:
[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

ChemComp-DKA:
DECANOIC ACID

ChemComp-H5Y:
2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid

ChemComp-MN:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-H67:
2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid

ChemComp-H6A:
2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid

ChemComp-H61:
2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

Source
  • influenza a virus
  • oplophorus gracilirostris (crustacean)
  • homo sapiens (human)
  • paenarthrobacter nicotinovorans (bacteria)
  • rattus norvegicus (Norway rat)
KeywordsVIRAL PROTEIN / OXIDOREDUCTASE / Oplophorus bioluminescent protein / NanoLuc luciferase / NLuc / coelenterazine / furimazine / beta-barrel / OXIDOREDUCTASE/INHIBITOR / DEMETHYLASE INHIBITION / OXIDOREDUCTASE-INHIBITOR complex / MAO / FAD binding / amine oxidase / flavin oxidase / N-methyl-GABA / GABA / SIGNALING PROTEIN / kinase / complex / docking

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