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Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
Descriptor:	(3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
Authors:	Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
Deposit date:	2017-12-06
Release date:	2018-05-02
Last modified:	2018-05-23
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018

Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne
Descriptor:	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, Retinoic acid receptor gamma, TETRAETHYLENE GLYCOL
Authors:	Chantalat, L, Thoreau, E.
Deposit date:	2018-03-08
Release date:	2018-05-23
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne. Bioorg. Med. Chem. Lett., 28, 2018