7DY7

Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Programmed cell death 1 ligand 1	polymer	126	14402.5	2	UniProt (Q9NZQ7) Pfam (PF07686)	Homo sapiens (Human)	hPD-L1,B7 homolog 1,B7-H1
2	C (B)	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol	non-polymer		400.5	1	Chemie (HOU)
3	D, E (B, A)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

B, A: 18 - 134 (UniProt: Q9NZQ7)

PDB	External Database	Details
Ala 135	-	expression tag
Ala 136	-	expression tag
Ala 137	-	expression tag
Leu 138	-	expression tag
Glu 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28804.9
Non-Polymers*	Number of molecules	1
	Total formula weight	400.5
All*	Total formula weight	29205.4

*Water molecules are not included.