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Structure paper

TitleAlbumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
Journal, issue, pagesJ. Med. Chem., Year 2020
Publish dateFeb 28, 2017 (structure data deposition date)
AuthorsCzub, M.P. / Handing, K.B. / Venkataramany, B.S. / Cooper, D.R. / Shabalin, I.G. / Minor, W.
External linksJ. Med. Chem. / PubMed:32469516
MethodsX-ray diffraction
Resolution2.25 - 2.8 Å
Structure data

PDB-5v0v:
Crystal structure of Equine Serum Albumin complex with etodolac
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6ci6:
Crystal structure of equine serum albumin in complex with nabumetone
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-6u4r:
Crystal structure of Equine Serum Albumin complex with ketoprofen
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6u4x:
Crystal structure of Equine Serum Albumin complex with ibuprofen
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-6u5a:
Crystal structure of Equine Serum Albumin complex with 6-MNA
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-8QP:
[(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

ChemComp-8QS:
[(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

ChemComp-HOH:
WATER

ChemComp-NBO:
nabumetone / antiinflammatory*YM

ChemComp-KNA:
nonanoic acid

ChemComp-UNX:
Unknown entry

ChemComp-9KL:
(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid / antiinflammatory*YM


ChemComp, No image

ChemComp-UNL:
Unknown ligand

ChemComp-IBP:
IBUPROFEN / antiinflammatory, medication*YM

ChemComp-PWY:
(6-methoxynaphthalen-2-yl)acetic acid

Source
  • equus caballus (horse)
KeywordsTRANSPORT PROTEIN / Structural Genomics / Center for Structural Genomics of Infectious Diseases / Equine Serum Albumin / Etodolac / CSGID / serum albumin / equine / nabumetone / Albumin / Ketoprofen / NSAID / SA / ESA / Ibuprofen / 6-MNA

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