UniProt Q9NZQ7
Programmed cell death 1 ligand 1 (Q9NZQ7)
Programmed cell death 1 ligand 1 (UniProt Q9NZQ7): 107 experimental structures and 1 predicted model on GenesisL1, 33 ligands bound, 141 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9NZQ7
- Protein
- Programmed cell death 1 ligand 1
- Experimental structures
- 107
- Predicted models
- 1
- Ligands
- 33
- Pockets
- 141 · 35 records with a druggable one
Structures
108 records of Q9NZQ7 in the MolNFT archive: 107 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3BIK | Crystal Structure of the PD-1/PD-L1 Complex | x-ray diffraction | A | — | — |
| 3BIK | Crystal structure of the pd-1/PD-L1 complex | x-ray diffraction | A | — | — |
| 3BIS | Crystal Structure of the PD-L1 | x-ray diffraction | A, B | — | — |
| 3BIS | Crystal structure of the pd-L1 | x-ray diffraction | A, B | — | — |
| 3FN3 | Dimeric Structure of PD-L1 | x-ray diffraction | A, B | — | — |
| 3FN3 | Dimeric structure of pd-L1 | x-ray diffraction | A, B | — | — |
| 3SBW | Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human… | x-ray diffraction | C | — | — |
| 3SBW | Crystal structure of the complex between the extracellular domains of mouse pd-1 mutant and human… | x-ray diffraction | C | — | — |
| 4Z18 | Crystal structure of human pd-L1 | x-ray diffraction | A, B | CL | 4 (best 0.71) |
| 4Z18 | Crystal structure of human pd-L1 | x-ray diffraction | A, B | — | — |
| 4ZQK | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | x-ray diffraction | A | — | — |
| 4ZQK | Structure of the complex of human programmed death-1 (pd-1) and its ligand pd-L1. | x-ray diffraction | A | — | — |
| 5C3T | Pd-1 binding domain from human pd-L1 | x-ray diffraction | A | — | — |
| 5GGT | PD-L1 in complex with BMS-936559 Fab | x-ray diffraction | A | — | 2 (best 0.54) |
| 5GGT | Pd-L1 in complex with bms-936559 Fab | x-ray diffraction | A | — | — |
| 5GRJ | Crystal structure of human PD-L1 with monoclonal antibody avelumab | x-ray diffraction | A | — | 1 (best 0.30) |
| 5GRJ | Crystal structure of human pd-L1 with monoclonal antibody avelumab | x-ray diffraction | A | — | — |
| 5IUS | Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant | x-ray diffraction | C, D | — | — |
| 5IUS | Crystal structure of human pd-L1 in complex with high affinity pd-1 mutant | x-ray diffraction | C, D | — | — |
| 5J89 | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | x-ray diffraction | C, A, D, B | 6GX | 6 (best 0.66) |
| 5J89 | Structure of human programmed cell death 1 ligand 1 (pd-L1) with low molecular mass inhibitor | x-ray diffraction | C, A, D, B | — | — |
| 5J8O | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | x-ray diffraction | A, B | 6GZ | — |
| 5J8O | Structure of human programmed cell death 1 ligand 1 (pd-L1) with low molecular mass inhibitor | x-ray diffraction | A, B | — | — |
| 5JDR | Structure of PD-L1 | x-ray diffraction | A, B | — | 5 (best 0.74) |
| 5JDR | Structure of pd-L1 | x-ray diffraction | A, B | — | — |
| 5JDS | Crystal structure of PD-L1 complexed with a nanobody at 1.7 Angstron resolution | x-ray diffraction | A | SO4, NA | 1 (best 0.33) |
| 5JDS | Crystal structure of pd-L1 complexed with a nanobody at 1.7 angstron resolution | x-ray diffraction | A | — | — |
| 5N2D | Structure of PD-L1/small-molecule inhibitor complex | x-ray diffraction | A, B, C, D | 8J8 | — |
| 5N2D | Structure of pd-L1/SMALL-molecule inhibitor complex | x-ray diffraction | A, B, C, D | 8J8 | — |
| 5N2F | Structure of PD-L1/small-molecule inhibitor complex | x-ray diffraction | A, B | 8HW | 1 (best 0.65) |
| 5N2F | Structure of pd-L1/SMALL-molecule inhibitor complex | x-ray diffraction | A, B | 8HW | — |
| 5NIU | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | x-ray diffraction | A, B, C, D | 8YZ | 5 (best 0.65) |
| 5NIU | Structure of human programmed cell death 1 ligand 1 (pd-L1) with low molecular mass inhibitor | x-ray diffraction | A, B, C, D | 8YZ | — |
| 5O45 | Structure of human PD-L1 in complex with inhibitor | x-ray diffraction | A | — | — |
| 5O45 | Structure of human pd-L1 in complex with inhibitor | x-ray diffraction | A | — | — |
| 5O4Y | Structure of human PD-L1 in complex with inhibitor | x-ray diffraction | B, C, E | — | 2 (best 0.65) |
| 5O4Y | Structure of human pd-L1 in complex with inhibitor | x-ray diffraction | B, C, E | — | — |
| 5X8L | PD-L1 in complex with atezolizumab | x-ray diffraction | A, B, C, D, E | — | 10 (best 0.81) |
| 5X8L | Pd-L1 in complex with atezolizumab | x-ray diffraction | A, B, C, D, E | — | — |
| 5X8M | PD-L1 in complex with durvalumab | x-ray diffraction | A | — | 2 (best 0.34) |
| 5X8M | Pd-L1 in complex with durvalumab | x-ray diffraction | A | — | — |
| 5XJ4 | Complex structure of durvalumab-scFv/PD-L1 | x-ray diffraction | A | — | 3 (best 0.43) |
| 5XJ4 | Complex structure of durvalumab-SCFV/PD-L1 | x-ray diffraction | A | — | — |
| 5XXY | Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A | x-ray diffraction | A | — | 2 (best 0.33) |
| 5XXY | Crystal structure of pd-L1 complexed with atezolizumab Fab at 2.9A | x-ray diffraction | A | — | — |
| 6L8R | membrane-bound PD-L1-CD | solution nmr | A | — | — |
| 6L8R | Membrane-bound pd-L1-CD | solution nmr | A | — | — |
| 6NM7 | PD-L1 IgV domain bound to fragment | x-ray diffraction | A, B | 22L | 2 (best 0.69) |
| 6NM7 | Pd-L1 igv domain bound to fragment | x-ray diffraction | A, B | 22L | — |
| 6NM8 | IgV-V76T BMS compound 105 | x-ray diffraction | A, B | KSD | 1 (best 0.64) |
| 6NM8 | Igv-V76T bms compound 105 | x-ray diffraction | A, B | KSD | — |
| 6NNV | PD-L1 IgV domain complex with macro-cyclic peptide | x-ray diffraction | A, B, C, D | — | 3 (best 0.62) |
| 6NNV | Pd-L1 igv domain complex with macro-cyclic peptide | x-ray diffraction | A, B, C, D | ACE | — |
| 6NOJ | PD-L1 IgV domain V76T with fragment | x-ray diffraction | A, B | KW7 | 4 (best 0.65) |
| 6NOJ | Pd-L1 igv domain V76T with fragment | x-ray diffraction | A, B | KW7 | — |
| 6NOS | PD-L1 IgV domain V76T with fragment | x-ray diffraction | A, B | KWA | 2 (best 0.66) |
| 6NOS | Pd-L1 igv domain V76T with fragment | x-ray diffraction | A, B | KWA | — |
| 6NP9 | PD-L1 IgV domain V76T with fragment | x-ray diffraction | A | SO4 | — |
| 6NP9 | Pd-L1 igv domain V76T with fragment | x-ray diffraction | A | SO4 | — |
| 6PV9 | Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction | x-ray diffraction | A | — | — |
48 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 10 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 4 records
- CL · Chloride ion · in 3 records
- NA · Sodium ion · in 3 records
- 22L · 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one · in 2 records
- 8HW · 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid · in 2 records
- 8J8 · ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl) methoxy]phenyl]methylamino]ethyl]ethanamide · in 2 records
- 8YZ · (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid · in 2 records
- FUC · alpha-L-fucopyranose · in 2 records
- HOU · 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol · in 2 records
- JQT · (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl) methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid · in 2 records
- KDW · ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide · in 2 records
- KSD · N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl) methoxy]phenyl}methyl)-D-alanine · in 2 records
- KW7 · methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate · in 2 records
- KWA · 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine · in 2 records
- R81 · N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide) · in 2 records
- TK2 · 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine · in 2 records
- UGZ · N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino) ethyl)methanesulfonamide · in 2 records
- WEW · (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide · in 2 records
- 6GX · N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide · in 1 record
- 6GZ · (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid · in 1 record
- 8H7 · (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid · in 1 record
- A1H56 · ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide · in 1 record
- ACE · Acetyl group · in 1 record
- AU9 · (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid · in 1 record
- I7M · 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide · in 1 record
- MG · Magnesium ion · in 1 record
- NH2 · Amino group · in 1 record
- OXM · Oxamic acid · in 1 record
- VVH · 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile · in 1 record
Experiment against prediction
- 7NLD chain F against the predicted model Q9NZQ7: TM-score 0.99, RMSD 0.44 Å
- 8RPB chain P against the predicted model Q9NZQ7: TM-score 0.99, RMSD 0.46 Å
- 7NLD chain C against the predicted model Q9NZQ7: TM-score 0.99, RMSD 0.50 Å
- 7UXP chain A against the predicted model Q9NZQ7: TM-score 0.99, RMSD 0.48 Å
- 5X8L chain B against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.50 Å
- 8P64 chain A against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.52 Å
- 7NLD chain B against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.53 Å
- 7UX5 chain K against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.53 Å
- 5X8M chain A against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.53 Å
- 7SJQ chain A against the predicted model Q9NZQ7: TM-score 0.98, RMSD 0.57 Å
Elsewhere
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