Author results

3DY6
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PPARDELTA COMPLEXED WITH AN ANTHRANILIC ACID PARTIAL AGONIST
Descriptor:Peroxisome proliferator-activated receptor delta, IODIDE ION, 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
Authors:Lambert, M.L., Xu, R., Shearer, B.G., Wilson, T.M.
Deposit date:2008-07-25
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a novel class of PPARdelta partial agonists
Bioorg.Med.Chem.Lett., 18, 2008
1KKQ
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CRYSTAL STRUCTURE OF THE HUMAN PPAR-ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH AN ANTAGONIST GW6471 AND A SMRT COREPRESSOR MOTIF
Descriptor:PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR, NUCLEAR RECEPTOR CO-REPRESSOR 2, N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
Authors:Xu, H.E., Stanley, T.B., Montana, V.G., Lambert, M.H., Shearer, B.G., Cobb, J.E., McKee, D.D., Galardi, C.M., Nolte, R.T., Parks, D.J.
Deposit date:2001-12-10
Release date:2002-02-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
3PEQ
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PPARD COMPLEXED WITH A PHENOXYACETIC ACID PARTIAL AGONIST
Descriptor:Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, hexyl beta-D-glucopyranoside, ...
Authors:Lambert, M.H., Evans, K.A., Shearer, B.G., Wisnoski, D.D., Shi, D., Jin, J., Rivero, R.A., Sparks, S.M., Winegar, D.A., Billin, A.N., Britt, C., Way, J.M., Leesnitzer, L.M., Merrihew, R.V.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
4XJS
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HUMAN CD38 COMPLEXED WITH INHIBITOR 1 [6-FLUORO-2-METHYL-4-[(2,3,6-TRICHLOROBENZYL)AMINO]QUINOLINE-8-CARBOXAMIDE]
Descriptor:ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, 5-O-phosphono-alpha-D-ribofuranose
Authors:Shewchuk, L.M., Deaton, D., Stewart, E.
Deposit date:2015-01-09
Release date:2015-08-26
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
4XJT
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HUMAN CD38 COMPLEXED WITH INHIBITOR 2 [4-[(2,6-DIMETHYLBENZYL)AMINO]-2-METHYLQUINOLINE-8-CARBOXAMIDE]
Descriptor:ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Shewchuk, L.M., Deaton, D.N., Stewart, E.
Deposit date:2015-01-09
Release date:2015-08-26
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
2POB
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PPARGAMMA LIGAND BINDING DOMAIN COMPLEXED WITH A FARGLITAZAR ANALOGUE GW4709
Descriptor:Peroxisome proliferator-activated receptor gamma, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, GLYCEROL
Authors:Nolte, R.T.
Deposit date:2007-04-26
Release date:2008-03-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cocrystal structure guided array synthesis of PPARgamma inverse agonists
BIOORG.MED.CHEM.LETT., 17, 2007
3S9S
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LIGAND BINDING DOMAIN OF PPARGAMMA COMPLEXED WITH A BENZIMIDAZOLE PARTIAL AGONIST
Descriptor:Peroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide
Authors:Lambert, M.H., Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011