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TitlePPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Journal, issue, pagesIscience, Vol. 23, Page 101727-101727, Year 2020
Publish dateJun 24, 2019 (structure data deposition date)
AuthorsKamata, S. / Oyama, T. / Saito, K. / Honda, A. / Yamamoto, Y. / Suda, K. / Ishikawa, R. / Itoh, T. / Watanabe, Y. / Shibata, T. ...Kamata, S. / Oyama, T. / Saito, K. / Honda, A. / Yamamoto, Y. / Suda, K. / Ishikawa, R. / Itoh, T. / Watanabe, Y. / Shibata, T. / Uchida, K. / Suematsu, M. / Ishii, I.
External linksIscience / PubMed:33205029
MethodsX-ray diffraction
Resolution1.23 - 3.301 Å
Structure data

PDB-6kax:
X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin) co-crystals obtained by cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-6kay:
X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.735 Å

PDB-6kaz:
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

PDB-6kb0:
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic acid (ETYA) co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-6kb1:
X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6kb2:
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6kb3:
X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-6kb4:
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-6kb5:
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6kb6:
X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.431 Å

PDB-6kb7:
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-6kb8:
X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-6kb9:
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6kba:
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-6kyp:
X-ray structure of human PPARalpha ligand binding domain-GW9662-clofibric acid co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

PDB-6l36:
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 3.301 Å

PDB-6l37:
X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.91 Å

PDB-6l38:
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.761 Å

PDB-6lx4:
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-6lx5:
X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-6lx6:
X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-6lx7:
X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-6lx8:
X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-6lx9:
X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6lxa:
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-6lxb:
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-6lxc:
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-7bpy:
X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-7bpz:
X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-7bq0:
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.771 Å

PDB-7bq1:
X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.521 Å

PDB-7bq2:
X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-7bq3:
X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-7bq4:
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-PLM:
PALMITIC ACID / Palmitic acid

ChemComp-HOH:
WATER / Water

ChemComp-2VN:
2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid

ChemComp-P7F:
(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid / agonist*YM / Pemafibrate

ChemComp-ITY:
icosa-5,8,11,14-tetraynoic acid

ChemComp-T4T:
2-tetradecylsulfanylethanoic acid / agonist*YM / Tetradecylthioacetic acid

ChemComp-WY1:
2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID / agonist*YM / Pirinixic acid

ChemComp-GW9:
2-chloro-5-nitro-N-phenylbenzamide

ChemComp-E0O:
2-(4-chloranylphenoxy)-2-methyl-propanoic acid / Clofibric acid

ChemComp-F5A:
2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid / medication*YM / Fenofibrate

ChemComp-C5F:
2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid

ChemComp-STE:
STEARIC ACID / Stearic acid

ChemComp-OLA:
OLEIC ACID / Oleic acid

ChemComp-ACD:
ARACHIDONIC ACID / Arachidonic acid

ChemComp-EPA:
5,8,11,14,17-EICOSAPENTAENOIC ACID / medication*YM / Ethyl eicosapentaenoic acid

ChemComp-EWR:
(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid / Saroglitazar

ChemComp-PEM:
2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID / Bezafibrate

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Nuclear receptor / Protein-ligand complex / PPAR

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