UniProt P03368
Protease (P03368)
Protease (UniProt P03368), EC 2.7.7.49, 3.4.23.16: 57 experimental structures on GenesisL1, 20 ligands bound, 80 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P03368
- Protein
- Protease
- EC
- 2.7.7.49, 3.4.23.16
- Experimental structures
- 57
- Predicted models
- 0
- Ligands
- 20
- Pockets
- 80 · 48 records with a druggable one
Structures
57 records of P03368 in the MolNFT archive: 57 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A9M | G48H mutant of HIV-1 protease in complex with a peptidic inhibitor U-89360E | x-ray diffraction | A, B | U0E | 1 (best 0.73) |
| 1A9M | G48H mutant of HIV-1 protease in complex with a peptidic inhibitor U- 89360E | x-ray diffraction | A, B | U0E | 1 (best 0.73) |
| 1G35 | Crystal structure of HIV-1 protease in complex with inhibitor, AHA024 | x-ray diffraction | A, B | AHF | 1 (best 0.72) |
| 1G35 | Crystal structure of HIV-1 protease in complex with inhibitor, AHA024 | x-ray diffraction | A, B | AHF | 1 (best 0.72) |
| 1GNM | HIV-1 protease mutant with val 82 replaced by asp (V82D) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.70) |
| 1GNM | HIV-1 protease mutant with val 82 replaced by asp (V82D) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.70) |
| 1GNN | HIV-1 protease mutant with val 82 replaced by asn (V82N) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.71) |
| 1GNN | HIV-1 protease mutant with val 82 replaced by asn (V82N) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.71) |
| 1GNO | HIV-1 protease (wild type) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.67) |
| 1GNO | HIV-1 protease (wild type) complexed with U89360E (inhibitor) | x-ray diffraction | A, B | U0E | 1 (best 0.67) |
| 1HVI | Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol inhibitors of… | x-ray diffraction | A, B | A77 | 1 (best 0.70) |
| 1HVI | Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol inhibitors of… | x-ray diffraction | A, B | A77 | 1 (best 0.70) |
| 1KJH | Substrate shape determines specificity of recognition recognition for HIV-1 protease: analysis of… | x-ray diffraction | P | — | — |
| 1KJH | Substrate shape determines specificity of recognition recognition for HIV-1 protease: analysis of… | x-ray diffraction | P | — | — |
| 1NPA | crystal structure of HIV-1 protease-hup | x-ray diffraction | A, B | 3NH | 1 (best 0.72) |
| 1NPA | Crystal structure of HIV-1 protease-hup | x-ray diffraction | A, B | 3NH | 1 (best 0.72) |
| 1NPV | Crystal structure of HIV-1 protease complexed with LDC271 | x-ray diffraction | A, B | L27 | 1 (best 0.73) |
| 1NPV | Crystal structure of HIV-1 protease complexed with LDC271 | x-ray diffraction | A, B | L27 | 1 (best 0.73) |
| 1NPW | Crystal structure of HIV protease complexed with LGZ479 | x-ray diffraction | A, B | LGZ | 1 (best 0.72) |
| 1NPW | Crystal structure of HIV protease complexed with LGZ479 | x-ray diffraction | A, B | LGZ | 1 (best 0.72) |
| 1T7K | Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea | x-ray diffraction | A, B | BH0 | 1 (best 0.75) |
| 1T7K | Crystal structure of HIV protease complexed with arylsulfonamide azacyclic urea | x-ray diffraction | A, B | BH0 | 1 (best 0.75) |
| 1YT9 | HIV Protease with oximinoarylsulfonamide bound | x-ray diffraction | A, B | OIS | 1 (best 0.71) |
| 1YT9 | HIV protease with oximinoarylsulfonamide bound | x-ray diffraction | A, B | OIS | 1 (best 0.71) |
| 1ZP8 | HIV Protease with inhibitor AB-2 | x-ray diffraction | A | AB2 | 2 (best 0.48) |
| 1ZP8 | HIV protease with inhibitor ab-2 | x-ray diffraction | A | AB2 | 2 (best 0.48) |
| 1ZPA | HIV Protease with Scripps AB-3 Inhibitor | x-ray diffraction | A | A83 | 2 (best 0.47) |
| 1ZPA | HIV protease with scripps ab-3 inhibitor | x-ray diffraction | A | A83 | 2 (best 0.47) |
| 2EXF | Solution structure of the HIV-1 nucleocapsid (NCp7(12-55)) complexed with the DNA (-) Primer… | solution nmr | A | ZN | — |
| 2EXF | Solution structure of the HIV-1 nucleocapsid (NCP7(12-55)) complexed with the DNA (-) primer… | solution nmr | A | ZN | — |
| 2FDD | Crystal structure of HIV protease D545701 bound with GW0385 | x-ray diffraction | — | — | |
| 2FDE | Wild type HIV protease bound with GW0385 | x-ray diffraction | A, B | K, 385 | 1 (best 0.70) |
| 2FDE | Wild type HIV protease bound with GW0385 | x-ray diffraction | A, B | K, 385 | 1 (best 0.70) |
| 2G69 | Structure of Unliganded HIV-1 Protease F53L Mutant | x-ray diffraction | A | — | 1 (best 0.53) |
| 2G69 | Structure of unliganded HIV-1 protease F53L mutant | x-ray diffraction | A | — | 1 (best 0.53) |
| 2HNZ | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2 | x-ray diffraction | B | PO4 | 13 (best 0.80) |
| 2HNZ | Crystal structure of E138K mutant HIV-1 reverse transcriptase in complex with pett-2 | x-ray diffraction | B | PO4 | 13 (best 0.80) |
| 2HS1 | Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir)… | x-ray diffraction | A, B | CL, 017 | 1 (best 0.72) |
| 2HS1 | Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir)… | x-ray diffraction | A, B | CL, 017 | 1 (best 0.72) |
| 2HS2 | Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir) | x-ray diffraction | A, B | CL, 017 | 1 (best 0.72) |
| 2HS2 | Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir) | x-ray diffraction | A, B | CL, 017 | 1 (best 0.72) |
| 2I4D | Crystal structure of WT HIV-1 protease with GS-8373 | x-ray diffraction | A, B | QFI | 1 (best 0.71) |
| 2I4D | Crystal structure of wt HIV-1 protease with gs-8373 | x-ray diffraction | A, B | QFI | 1 (best 0.71) |
| 2I4U | HIV-1 protease with TMC-126 | x-ray diffraction | A, B | DJR | 1 (best 0.72) |
| 2I4U | HIV-1 protease with tmc-126 | x-ray diffraction | A, B | DJR | 1 (best 0.72) |
| 2I4V | HIV-1 protease I84V, L90M with TMC126 | x-ray diffraction | A, B | DJR | 1 (best 0.72) |
| 2I4V | HIV-1 protease I84V, L90M with TMC126 | x-ray diffraction | A, B | DJR | 1 (best 0.72) |
| 2I4W | HIV-1 protease WT with GS-8374 | x-ray diffraction | A, B | KGQ | 1 (best 0.71) |
| 2I4W | HIV-1 protease wt with gs-8374 | x-ray diffraction | A, B | KGQ | 1 (best 0.71) |
| 2I4X | HIV-1 Protease I84V, L90M with GS-8374 | x-ray diffraction | A, B | KGQ | 1 (best 0.73) |
| 2I4X | HIV-1 protease I84V, L90M with gs-8374 | x-ray diffraction | A, B | KGQ | 1 (best 0.73) |
| 2IDW | Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor… | x-ray diffraction | A, B | CL, PO4, 017 | 1 (best 0.70) |
| 2IDW | Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor… | x-ray diffraction | A, B | CL, PO4, 017 | 1 (best 0.70) |
| 2IEN | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | x-ray diffraction | A, B | NA, CL, 017 | 1 (best 0.74) |
| 2IEN | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (uic-94017) | x-ray diffraction | A, B | NA, CL, 017 | 1 (best 0.74) |
| 2IEO | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor… | x-ray diffraction | A, B | CL, NA, 017 | 1 (best 0.73) |
| 2IEO | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor… | x-ray diffraction | A, B | CL, NA, 017 | 1 (best 0.73) |
Ligands
- 017 · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate · in 10 records
- CL · Chloride ion · in 10 records
- U0E · N-[[1-[N-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide · in 8 records
- DJR · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl) sulfonyl]amino}propyl]carbamate · in 4 records
- KGQ · Diethyl ({4-[(2S,3R)-2-({[(3r,3as,6ar)-hexahydrofuro[2, 3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl) sulfonyl]amino}butyl]phenoxy}methyl)phosphonate · in 4 records
- NA · Sodium ion · in 4 records
- PO4 · Phosphate ion · in 4 records
- 385 · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate · in 2 records
- 3NH · (3S)-tetrahydrofuran-3-yl (1R,2S)-3-[4-((1R)-2-{[(S)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1H-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate · in 2 records
- A77 · N-{1-benzyl-(2R,3S)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide · in 2 records
- A83 · Tert-butyl 4-[({[1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate · in 2 records
- AB2 · [1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-yl]methyl (1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylcarbamate · in 2 records
- AHF · 2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol · in 2 records
- BH0 · 3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile · in 2 records
- K · Potassium ion · in 2 records
- L27 · {1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1H-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester · in 2 records
- LGZ · Carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1H-pyrrol-3-yl}- indan-2-yl ester · in 2 records
- OIS · (S)-N-((2S,3R)-3-hydroxy-4-(4-((E)-(hydroxyimino)methyl)-N-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide · in 2 records
- QFI · ({4-[(2S,3R)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid · in 2 records
- ZN · Zinc ion · in 2 records
Elsewhere
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