5CLM
 
 | | 1,4-Oxazine BACE1 inhibitors | | Descriptor: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | Deposit date: | 2015-07-16 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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9DH3
 | | Cryo-EM structure of NLRP3 complex with Compound C | | Descriptor: | 2-[(4S)-5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N-(pyrimidin-4-yl)acetamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Matico, R, Grauwen, K, Van Gool, M, Muratore, E.M, Yu, X, Abdiaj, I, Adhikary, S, Adriaensen, I, Aranzazu, G.M, Alcazar, J, Bassi, M, Brisse, E, Canellas, S, Chaudhuri, S, Chauhan, D, Delgado, F, Dieguez-Vazquez, A, Du Jardin, M, Eastham, V, Finley, M, Jacobs, T, Keustermans, K, Kuhn, R, Llaveria, J, Leenaerts, J, Linares, M.L, Martin, M.L, Martinez, C, Miller, R, Munoz, F.M, Nooyens, A, Perez, L.B, Perrier, M, Pietrak, B, Serre, J, Sharma, S, Somers, M, Suarez, J, Tresadern, G, Trabanco, A.A, Van den Bulck, D, Van Hauwermeiren, F, Varghese, T, Vega, J.A, Youssef, S.A, Edwards, M.J, Oehlrich, D, Van Opdenbosch, N. | | Deposit date: | 2024-09-03 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Navigating from cellular phenotypic screen to clinical candidate: selective targeting of the NLRP3 inflammasome.
Embo Mol Med, 17, 2025
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4D08
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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