9D4Y

Structure of PAK1 in complex with compound 31

This is a non-PDB format compatible entry.

Summary for 9D4Y

• Entry DOI: 10.2210/pdb9d4y/pdb
• Descriptor: Serine/threonine-protein kinase PAK 1, N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine (3 entities in total)
• Functional Keywords: serine/threonine-protein kinase, transferase, inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 67482.58

Authors

Fontano, E.,Suto, R.K.,Olland, A.M. (deposition date: 2024-08-13, release date: 2025-04-02)

• Primary citation: Johns, D.,Olejniczak, J.,Babbar, A.,Boone, C.,Cakici, O.,Cheng, M.,Cheng, Q.,Dementiev, A.,Eick, M.,Ferdyan, N.,Fontano, E.,Forman, A.,Goel, V.,Hirst, G.,Kozlowski, R.,Lee, S.,Mehta, S.,Mowery, K.,Murray, B.,Nguyen, V.,Olland, A.,Phan, K.,Reich, S.,Rivera, L.,Sabat, M.,Sprengeler, P.,Srinivasan, K.,Sun, Z.,Suto, R.,Wilkinson, T.,Wang, C.,Yu, N.,Xu, M.; Identification of a p21-Activated Kinase 1 (PAK1) Inhibitor with 10-fold Selectivity Against PAK2; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.847 Å)