UniProt Q5RZ08
Protease (Q5RZ08)
Protease (UniProt Q5RZ08), EC 3.4.23.16: 64 experimental structures on GenesisL1, 30 ligands bound, 24 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q5RZ08
- Protein
- Protease
- EC
- 3.4.23.16
- Experimental structures
- 64
- Predicted models
- 0
- Ligands
- 30
- Pockets
- 24 · 24 records with a druggable one
Structures
64 records of Q5RZ08 in the MolNFT archive: 64 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2R38 | I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R38 | I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R3T | I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R3T | I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R3W | I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R3W | I84V HIV-1 protease in complex with a amino decorated pyrrolidine- based inhibitor | x-ray diffraction | A, B | — | — |
| 2R43 | I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | x-ray diffraction | A, B | — | — |
| 2R43 | I50V HIV-1 protease in complex with an amino decorated pyrrolidine- based inhibitor | x-ray diffraction | A, B | — | — |
| 5WLO | a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | x-ray diffraction | A, B | NA, CL, GR7 | 1 (best 0.75) |
| 5WLO | A novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | x-ray diffraction | A, B | NA, CL, GR7 | — |
| 6BRA | HIV-1 protease (D25N, inactive) in complex with phage display optimized substrate SGIFLETS | x-ray diffraction | A, B | CL | — |
| 6BRA | HIV-1 protease (D25N, inactive) in complex with phage display optimized substrate sgiflets | x-ray diffraction | A, B | CL | — |
| 6BZ2 | Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring… | x-ray diffraction | A, B | NA, CL, 7OA | 1 (best 0.72) |
| 6BZ2 | Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor grl-14213A of 6-5-5-ring… | x-ray diffraction | A, B | NA, CL, 7OA | — |
| 6C8X | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | x-ray diffraction | A, B | BVR, CL | — |
| 6C8Y | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | x-ray diffraction | A, B | CL, BVR | 1 (best 0.74) |
| 6C8Y | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | x-ray diffraction | A, B | CL, BVR | — |
| 6CDJ | HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as… | x-ray diffraction | A, B | GR8, NA, CL | — |
| 6CDJ | HIV-1 wild type protease with grl-03314A, 6-5-5-ring fused umbrella- like tetrahydropyranofuran as… | x-ray diffraction | A, B | GR8, NA, CL | — |
| 6CDL | HIV-1 wild type protease with GRL-03214A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as… | x-ray diffraction | A, B | NA, CL, GR5 | — |
| 6CDL | HIV-1 wild type protease with grl-03214A, 6-5-5-ring fused umbrella- like tetrahydropyranofuran as… | x-ray diffraction | A, B | NA, CL, GR5 | — |
| 6DIF | Wild-type HIV-1 protease in complex with tipranavir | x-ray diffraction | A, B | NA, CL, TPV | 1 (best 0.72) |
| 6DIF | Wild-type HIV-1 protease in complex with tipranavir | x-ray diffraction | A, B | NA, CL, TPV | — |
| 6DIL | HIV-1 protease with single mutation L76V in complex with tipranavir | x-ray diffraction | A, B | NA, CL, TPV | 1 (best 0.69) |
| 6DIL | HIV-1 protease with single mutation L76V in complex with tipranavir | x-ray diffraction | A, B | NA, CL, TPV | — |
| 6DJ1 | Wild-type HIV-1 protease in complex with Lopinavir | x-ray diffraction | A, B | NA, CL, AB1 | 1 (best 0.72) |
| 6DJ1 | Wild-type HIV-1 protease in complex with lopinavir | x-ray diffraction | A, B | NA, CL, AB1 | — |
| 6DJ2 | HIV-1 protease with single mutation L76V in complex with Lopinavir | x-ray diffraction | A, B | NA, CL, AB1 | — |
| 6DJ2 | HIV-1 protease with single mutation L76V in complex with lopinavir | x-ray diffraction | A, B | NA, CL, AB1 | — |
| 6DJ5 | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | x-ray diffraction | A, B | NA, CL, G52 | 1 (best 0.71) |
| 6DJ5 | HIV-1 protease with mutation L76V in complex with grl-0519 (tris- tetrahydrofuran as P2 ligand) | x-ray diffraction | A, B | NA, CL, G52 | — |
| 6DJ7 | HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2… | x-ray diffraction | A, B | NA, CL, G10 | 1 (best 0.71) |
| 6DJ7 | HIV-1 protease with mutation L76V in complex with grl-5010 (gem- difluoro-bis-tetrahydrofuran as P2… | x-ray diffraction | A, B | NA, CL, G10 | — |
| 6DV0 | HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine… | x-ray diffraction | A, B | NA, CL, GA8 | 1 (best 0.72) |
| 6DV0 | HIV-1 wild type protease with grl-02815A, a thiochroman heterocycle with (S)-boc-amine… | x-ray diffraction | A, B | NA, CL, GA8 | — |
| 6DV4 | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine… | x-ray diffraction | A, B | NA, CL, GA5 | 1 (best 0.73) |
| 6DV4 | HIV-1 wild type protease with grl-04315A, a tetrahydronaphthalene carboxamide with (R)-boc-amine… | x-ray diffraction | A, B | NA, CL, GA5 | — |
| 6E7J | HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a… | x-ray diffraction | A, B | HWY, NA, CL | 1 (best 0.73) |
| 6E7J | HIV-1 wild type protease with grl-042-17A, 3-phenylhexahydro-2H- CYCLOPENTA[D]OXAZOL-2-one with a… | x-ray diffraction | A, B | HWY, NA, CL | — |
| 6E9A | HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL… | x-ray diffraction | A, B | NA, CL, J0S | 1 (best 0.73) |
| 6E9A | HIV-1 wild type protease with grl-034-17A, (3AS, 5R, 6AR)-2-oxohexahyd CYCLOPENTA[D]-5-oxazolyl… | x-ray diffraction | A, B | NA, CL, J0S | — |
| 6IXD | X-ray crystal structure of bPI-11 hiv-1 protease complex | x-ray diffraction | A, B | SO4, B0F, CL | — |
| 6IXD | X-ray crystal structure of bpi-11 HIV-1 protease complex | x-ray diffraction | A, B | SO4, B0F, CL | — |
| 6O48 | Wild-type HIV-1 protease in complex with a substrate analog CA-p2 | x-ray diffraction | A, B | NA, CL, 0Q4 | 1 (best 0.71) |
| 6O48 | Wild-type HIV-1 protease in complex with a substrate analog ca-P2 | x-ray diffraction | A, B | NA, CL | — |
| 6U7O | HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a… | x-ray diffraction | A, B | NA, CL, Q1D | 1 (best 0.71) |
| 6U7O | HIV-1 wild type protease with grl-00819A, with phenyl-boronic-acid as P2'-ligand and with a… | x-ray diffraction | A, B | NA, CL, Q1D | — |
| 6U7P | HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a… | x-ray diffraction | A, B | B4R, NA, CL | 1 (best 0.72) |
| 6U7P | HIV-1 wild type protease with grl-03119A, with phenyl-boronic-acid as P2'-ligand and with a… | x-ray diffraction | A, B | B4R, NA, CL | — |
| 6VCE | HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a… | x-ray diffraction | A, B | NA, CL, G6R | 1 (best 0.73) |
| 6VCE | HIV-1 wild type protease with grl-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a… | x-ray diffraction | A, B | NA, CL, G6R | — |
| 6VOD | HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran… | x-ray diffraction | A, B | NA, CL, T1R | 1 (best 0.73) |
| 6VOD | HIV-1 wild type protease with grl-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran… | x-ray diffraction | A, B | NA, CL, T1R | — |
| 6VOE | HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran… | x-ray diffraction | A, B | NA, CL, T2R | 1 (best 0.72) |
| 6VOE | HIV-1 wild type protease with grl-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran… | x-ray diffraction | A, B | NA, CL, T2R | — |
| 7TO5 | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused… | x-ray diffraction | A, B | NA, CL, G8R | 1 (best 0.72) |
| 7TO5 | HIV-1 wild type protease with grl-05816A, with C-4 substituted cyclohexane-fused… | x-ray diffraction | A, B | NA, CL, G8R | — |
| 7TO6 | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused… | x-ray diffraction | A, B | NA, CL, G77 | 1 (best 0.74) |
| 7TO6 | HIV-1 wild type protease with grl-01717A, with C-4 substituted cyclohexane-fused… | x-ray diffraction | A, B | NA, CL, G77 | — |
| 8ESY | D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir | x-ray diffraction | A, B | CL, X7B | — |
4 records more on the page itself.
Ligands
- CL · Chloride ion · in 56 records
- NA · Sodium ion · in 48 records
- AB1 · N-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide · in 4 records
- TPV · N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide · in 4 records
- BVR · [4-[[(2~{R},3~{S})-3-[[(3~{A}~{S},4~{R},6~{A}~{R})-2,3, 3~{A},4,5,6~{A}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron · in 3 records
- 7OA · (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate · in 2 records
- B0F · (4R)-3-[(2S,3S)-3-[2-[4-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide · in 2 records
- B4R · {4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid · in 2 records
- G10 · (3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl) amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate · in 2 records
- G52 · (3r,3as,3br,6as,7as)-octahydrodifuro[2,3-B:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl) amino}propyl]carbamate · in 2 records
- G6R · N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s, 7as,8s)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide · in 2 records
- G77 · (1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3, 5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate · in 2 records
- G8R · (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate · in 2 records
- GA5 · tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate · in 2 records
- GA8 · tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate · in 2 records
- GR5 · (2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate · in 2 records
- GR7 · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate · in 2 records
- GR8 · (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate · in 2 records
- HWY · (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate · in 2 records
- J0S · (3as,5r,6ar)-2-oxohexahydro-2H-cyclopenta[d][1, 3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate · in 2 records
- Q1D · {4-[{(2R,3S)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl) sulfamoyl]phenyl}boronic acid · in 2 records
- SO4 · Sulfate ion · in 2 records
- T1R · (1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl) sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate · in 2 records
- T2R · (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate · in 2 records
- 0Q4 · N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide · in 1 record
- A1AIH · 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol · in 1 record
- X7B · [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate · in 1 record
- X7H · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate · in 1 record
- Y9N · N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide · in 1 record
- Y9R · N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide · in 1 record
Elsewhere
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