7U8Y
 
 | | TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics | | Descriptor: | ALIZARIN RED, MANGANESE (II) ION, Three-prime repair exonuclease 1 | | Authors: | Hemphill, W.O, Harvey, S.E, Simpson, S.R, Smalley, T.L, Salsbury, F.R, Perrino, F.W, Hollis, T. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics
to be published
|
|
3P88
 | | FXR bound to isoquinolinecarboxylic acid | | Descriptor: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | | Deposit date: | 2010-10-13 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P89
 | | FXR bound to a quinolinecarboxylic acid | | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | | Deposit date: | 2010-10-13 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
4XJT
 | | Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide] | | Descriptor: | 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [(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: | 2023-09-27 | | 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
|
|
4XJS
 | | Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide] | | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | | Authors: | Shewchuk, L.M, Deaton, D, Stewart, E. | | Deposit date: | 2015-01-09 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | 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
|
|
