UniProt P09958
Furin (P09958)
Furin (UniProt P09958), EC 3.4.21.75: 58 experimental structures and 1 predicted model on GenesisL1, 23 ligands bound, 16 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P09958
- Protein
- Furin
- EC
- 3.4.21.75
- Experimental structures
- 58
- Predicted models
- 1
- Ligands
- 23
- Pockets
- 16 · 2 records with a druggable one
Structures
59 records of P09958 in the MolNFT archive: 58 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4OMC | X-ray structure of human furin in complex with the competitive inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4OMC | X-ray structure of human furin in complex with the competitive inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4OMD | X-ray structure of human furin in complex with the competitive inhibitor Phac-RVR-Amba | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4OMD | X-ray structure of human furin in complex with the competitive inhibitor phac-rvr-amba | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4RYD | X-ray structure of human furin in complex with the competitive inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4RYD | X-ray structure of human furin in complex with the competitive inhibitor… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4Z2A | Crystal structure of unglycosylated apo human furin @1.89A | x-ray diffraction | A | — | — |
| 4Z2A | Crystal structure of unglycosylated apo human furin @1.89A | x-ray diffraction | A | — | — |
| 5JMO | X-ray structure of furin in complex with the inhibitory antibody Nb14 | x-ray diffraction | A, B | NAG, CA, NA | — |
| 5JMO | X-ray structure of furin in complex with the inhibitory antibody NB14 | x-ray diffraction | A, B | — | — |
| 5JXG | Structure of the unliganded form of the proprotein convertase furin. | x-ray diffraction | A | CA, NA, CL | — |
| 5JXG | Structure of the unliganded form of the proprotein convertase furin. | x-ray diffraction | A | — | — |
| 5JXH | Structure the proprotein convertase furin in complex with meta- guanidinomethyl-phac-rvr-amba at… | x-ray diffraction | A | — | — |
| 5JXI | Structure of the unliganded form of the proprotein convertase furin in presence of EDTA. | x-ray diffraction | A | CA, NA, CL | — |
| 5JXI | Structure of the unliganded form of the proprotein convertase furin in presence of edta. | x-ray diffraction | A | — | — |
| 5JXJ | Structure of the proprotein convertase furin complexed to meta-guanidinomethyl-Phac-RVR-Amba in… | x-ray diffraction | A | CA, NA, CL | — |
| 5JXJ | Structure of the proprotein convertase furin complexed to meta- guanidinomethyl-phac-rvr-amba in… | x-ray diffraction | A | — | — |
| 5MIM | Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule… | x-ray diffraction | A | CA, NA, CL, 1N | — |
| 5MIM | Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule… | x-ray diffraction | A | CA, NA, CL, 1N | — |
| 6A8Y | YR26_SDS | solution nmr | A | — | — |
| 6EQV | X-ray structure of the proprotein convertase furin bound with the competitive inhibitor… | x-ray diffraction | A | HY1, CIR, 00S, CA, NA, CL | — |
| 6EQW | X-ray structure of the proprotein convertase furin bound with the competitive inhibitor… | x-ray diffraction | A | BVK, 00S, CA, NA, CL | — |
| 6EQX | X-ray structure of the proprotein convertase furin bound with the competitive inhibitor… | x-ray diffraction | A | CA, NA, CL | — |
| 6EQX | X-ray structure of the proprotein convertase furin bound with the competitive inhibitor… | x-ray diffraction | A | 00S, CA, NA, CL | — |
| 6HLB | X-ray structure of furin in complex with the cyclic peptide… | x-ray diffraction | A | 00S, CA, NA, CL, PO4 | — |
| 6HLD | X-ray structure of furin in complex with the cyclic peptide… | x-ray diffraction | A | CA, NA, CL, PO4 | — |
| 6HLD | X-ray structure of furin in complex with the cyclic peptide… | x-ray diffraction | A | 00S, CA, NA, CL, PO4 | — |
| 6HLE | X-ray structure of furin in complex with the P6-P2-cyclized peptide H- lys-arg-arg-tle-lys-4-amba | x-ray diffraction | A | 00S, CA, NA, CL, PO4, GEB | — |
| 6HZA | X-ray structure of furin in complex with the cyclic peptide c[glutaryl-Arg-Arg-Lys]-Arg-4-Amba | x-ray diffraction | A | CA, NA, CL, PO4, PTD | — |
| 6HZA | X-ray structure of furin in complex with the cyclic peptide C[GLUTARYL-arg-arg-lys]-arg-4-amba | x-ray diffraction | A | 00S, CA, NA, CL, PO4, PTD | — |
| 6HZB | X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Lys]-Lys-4-Amba | x-ray diffraction | A | CA, NA, CL, PO4, PTD | — |
| 6HZB | X-ray structure of furin in complex with the cyclic inhibitor C[GLUTARYL-arg-arg-lys]-lys-4-amba | x-ray diffraction | A | 00S, CA, NA, CL, PO4, PTD | — |
| 6HZC | X-ray structure of furin in complex with the cyclic inhibitor… | x-ray diffraction | A | 00S, CA, NA, CL, PO4, PTD | — |
| 6HZD | X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Arg-Lys]-Arg-4-Amba | x-ray diffraction | A | CA, NA, CL, PO4, PTD | — |
| 6HZD | X-ray structure of furin in complex with the cyclic inhibitor C[GLUTARYL-arg-arg-arg-lys]-arg-4-amba | x-ray diffraction | A | 00S, CA, NA, CL, PO4, PTD | — |
| 6YD2 | X-ray structure of furin in complex with the canavanine-based inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4 | 4 (best 0.45) |
| 6YD2 | X-ray structure of furin in complex with the canavanine-based inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4, BVK, 00S | — |
| 6YD3 | X-ray structure of furin in complex with the canavanine derived inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4 | 4 (best 0.45) |
| 6YD3 | X-ray structure of furin in complex with the canavanine derived inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4, 2UE, 00S | — |
| 6YD4 | X-ray structure of furin in complex with the canavanine-based inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4, 2UE, 00S | — |
| 6YD7 | X-ray structure of furin in complex with the canavanine-based inhibitor… | x-ray diffraction | A | CA, NA, CL, PO4, 2UE, 00S | — |
| 7LCU | X-ray structure of furin bound to bos-318, a small molecule inhibitor | x-ray diffraction | A | CA, XTA | — |
| 7O1U | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241) | x-ray diffraction | A | UYN, CA, NA, CL, NAG | — |
| 7O1U | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241) | x-ray diffraction | A | UYN, CA, NA, CL, NAG | — |
| 7O1W | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1… | x-ray diffraction | A | UYQ, CA, NA, CL, NAG | — |
| 7O1W | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (MI307) soaked at 1… | x-ray diffraction | A | UYQ, CA, NA, CL, NAG | — |
| 7O1Y | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at… | x-ray diffraction | A | UYQ, CA, NA, CL, NAG | — |
| 7O1Y | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (MI307) soaked at… | x-ray diffraction | A | UYQ, CA, NA, CL, NAG | — |
| 7O20 | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300) | x-ray diffraction | A | UYT, CA, NA, CL, NAG | — |
| 7O20 | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (MI300) | x-ray diffraction | A | UYT, CA, NA, CL, NAG | — |
| 7O22 | X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (MI359) | x-ray diffraction | A | CA, NA, CL, NAG, UYW | — |
| 7QXY | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3 | x-ray diffraction | A | CA, NA, CL, I1G | 3 (best 0.50) |
| 7QXY | X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 3 | x-ray diffraction | A | CA, NA, CL, I1G | — |
| 7QXZ | X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 5 | x-ray diffraction | A | CA, NA, CL, I0M | — |
| 7QY0 | X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 1 | x-ray diffraction | A | I0T, CA, NA, CL, NAG | — |
| 7QY1 | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 | x-ray diffraction | A | I0W, CA, NA, CL, NAG | 5 (best 0.54) |
| 7QY1 | X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 4 | x-ray diffraction | A | I0W, CA, NA, CL, NAG | — |
| 7QY2 | X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 2 | x-ray diffraction | A | I0Q, CA, NA, CL, NAG | — |
| P09958 | AlphaFold monomer V2.0 prediction for furin (P09958) | predicted | A | — | — |
Ligands
- CA · Calcium ion · in 44 records
- NA · Sodium ion · in 43 records
- CL · Chloride ion · in 42 records
- PO4 · Phosphate ion · in 17 records
- 00S · 4-(aminomethyl)benzenecarboximidamide · in 14 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 14 records
- PTD · Pentanedial · in 7 records
- UYQ · [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl) methyl]hydrazinylidene]methyl]phenyl]methylidene]hydra zinyl]-azanyl-methylidene]azanium · in 4 records
- 2UE · 1-[4-(2-oxoethyl)benzyl]guanidine · in 3 records
- BVK · 2-[4-(aminomethyl)phenyl]ethanoic acid · in 3 records
- 1N · 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl) amino]cyclohexyl]guanidine · in 2 records
- I0W · 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate · in 2 records
- I1G · 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate · in 2 records
- UYN · [[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl) methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium · in 2 records
- UYT · [azanyl-[(2E)-2-(1-phenylethylidene) hydrazinyl]methylidene]azanium · in 2 records
- CIR · Citrulline · in 1 record
- GEB · 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal · in 1 record
- HY1 · Phenylacetaldehyde · in 1 record
- I0M · 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid · in 1 record
- I0Q · (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate · in 1 record
- I0T · N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide · in 1 record
- UYW · [azanyl-[(2E)-2-[[2-[(4-chlorophenyl) methoxy]phenyl]methylidene]hydrazinyl]methylidene]azan ium · in 1 record
- XTA · (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid · in 1 record
Experiment against prediction
- 4Z2A chain A against the predicted model P09958: TM-score 1.00, RMSD 0.28 Å
- 4Z2A chain A against the predicted model P09958: TM-score 1.00, RMSD 0.28 Å
- 7O22 chain A against the predicted model P09958: TM-score 1.00, RMSD 0.29 Å
- 7O20 chain A against the predicted model P09958: TM-score 1.00, RMSD 0.32 Å
- 7O20 chain A against the predicted model P09958: TM-score 1.00, RMSD 0.32 Å
- 4RYD chain D against the predicted model P09958: TM-score 1.00, RMSD 0.33 Å
- 4RYD chain D against the predicted model P09958: TM-score 1.00, RMSD 0.33 Å
- 4RYD chain F against the predicted model P09958: TM-score 1.00, RMSD 0.33 Å
- 4RYD chain F against the predicted model P09958: TM-score 1.00, RMSD 0.33 Å
- 4RYD chain E against the predicted model P09958: TM-score 1.00, RMSD 0.33 Å
Elsewhere
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