9D4X

Structure of PAK1 in complex with compound 16

Summary for 9D4X

Entry DOI	10.2210/pdb9d4x/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	67308.42
Authors	Dementiev, A.,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)

Structure validation