7YAZ

Crystal structure of ZAK in complex with compound YH-186

Summary for 7YAZ

Entry DOI	10.2210/pdb7yaz/pdb
Descriptor	Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide (3 entities in total)
Functional Keywords	zak, inhibitor, yh-186, structural protein, structural protein-inhibitor complex, structural protein/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	36008.19
Authors	Kong, L.L.,Yun, C.H. (deposition date: 2022-06-28, release date: 2023-08-09)
Primary citation	Zhou, Y.,Yu, H.,Vind, A.C.,Kong, L.,Liu, Y.,Song, X.,Tu, Z.,Yun, C.,Smaill, J.B.,Zhang, Q.W.,Ding, K.,Bekker-Jensen, S.,Lu, X. Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66:7405-7420, 2023 Cited by PubMed: 37220641 DOI: 10.1021/acs.jmedchem.3c00088 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.54 Å)

Structure validation