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3TD8
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STRUCTURAL ANALYSIS OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEX WITH NADPH AND 2,4-DIAMINO-5-METHYL-6-[2'-(4-CARBOXY-1-PENTYNYL)-5'-METHOXYBENZYL]PYRIDO[2,3-D]PYRIMIDINE
Descriptor:Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid
Authors:Cody, V., Pace, J., Stewart, E.
Deposit date:2011-08-10
Release date:2012-04-11
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of Pneumocystis cariniidihydrofolate reductase complexed with NADPH and 2,4-diamino-6-[2-(5-carboxypent-1-yn-1-yl)-5-methoxybenzyl]-5-methylpyrido[2,3-d]pyrimidine.
Acta Crystallogr.,Sect.F, 68, 2012
3CLD
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LIGAND BINDING DOMAIN OF THE GLUCOCORTICOID RECEPTOR COMPLEXED WITH FLUTICAZONE FUROATE
Descriptor:Glucocorticoid receptor, Tif2 coactivator motif, (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate
Authors:Shewchuk, L.M., McLay, I., Stewart, E., Biggadike, K.B., Hassell, A.M., Bledsoe, R.K.
Deposit date:2008-03-18
Release date:2008-06-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domain.
J.Med.Chem., 51, 2008
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
3FAL
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HUMANRXR ALPHA & MOUSE LXR ALPHA COMPLEXED WITH RETENOIC ACID AND GSK2186
Descriptor:Retinoic acid receptor RXR-alpha, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y., Caravella, J.A., Watson, M.A., Campobasso, N., Ghisletti, S., Billin, A.N., Galardi, C., Willson, T.M., Zuercher, W.J., Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008