6XIH: Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile

PDB ID: 6XIHDownload
MMDB ID: 191201
PDB Deposition Date: 2020/6/19
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.65  Å
Source Organism:
Similar Structures:
Biological Unit for 6XIH: monomeric; determined by author and by software (PISA)
Molecular Components in 6XIH
Label Count Molecule
Protein (1 molecule)
1
Mitogen-activated Protein Kinase Kinase Kinase 5
(Gene symbol: MAP3K5)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303