HIV-1 PROTEASE
HIV-1 M:B_ARV2/SF2
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 491–589 Chain B； UniProt 491–589 | Mutation：Q7K, I50V, A71V | GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 3 DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K | Resolution 1.65 Å R-free 0.215 |
| 2 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 491–589 Chain D； UniProt 491–589 | Mutation：Q7K, I50V, A71V | GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 3 DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K | Resolution 1.65 Å R-free 0.215 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 3OXX | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1AID STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN Deposited 1997-04-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Not recorded | CL CHLORIDE ION × 1 THK 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.4；pH 5.4
|
Resolution 2.20 Å |
| 1B6J HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1 Deposited 1999-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：CYS67ABA, CYS95ABA, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：CYS67ABA, CYS95ABA, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；0.1 M ACETATE BUFFER PH 5.5 AND 30-60% AMMONIUM SULFATE
|
Resolution 1.85 Å R-free 0.219 |
| 1B6K HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 Deposited 1999-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI5 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；0.1 M ACETATE BUFFER PH 5.5 AND 30-60% AMMONIUM SULFATE
|
Resolution 1.85 Å R-free 0.239 |
| 1B6L HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 Deposited 1999-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：GLN7LYS LEU33ILE CYS67ABA CYS95ABA GLN107LYS LEU133ILE CYS167ABA CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：GLN7LYS LEU33ILE CYS67ABA CYS95ABA GLN107LYS LEU133ILE CYS167ABA CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI4 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；0.1 M ACETATE BUFFER PH 5.5 AND 30-60% AMMONIUM SULFATE
|
Resolution 1.75 Å R-free 0.226 |
| 1B6M HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 Deposited 1999-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI6 [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；0.1 M ACETATE BUFFER PH 5.5 AND 30-60% AMMONIUM SULFATE
|
Resolution 1.85 Å R-free 0.227 |
| 1B6P HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 Deposited 1999-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI7 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；0.1 M ACETATE BUFFER PH 5.5 AND 30-60% AMMONIUM SULFATE
|
Resolution 2.00 Å R-free 0.240 |
| 1CPI REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE Deposited 1995-10-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 2.05 Å R-free 0.237 |
| 1D4K HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR Deposited 1999-10-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, L33I, C67(ABA), C95(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q7K, L33I, C67(ABA), C95(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 2 PI8 N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；ammonium sulfate. acetate buffer, , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
|
Resolution 1.85 Å R-free 0.259 |
| 1D4L HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR Deposited 1999-10-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, L33I, C67(ABA), C95(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q7K, L33I, C67(ABA), C95(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI9 (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；ammonium sulfate. acetate buffer, , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
|
Resolution 1.75 Å R-free 0.231 |
| 1F7A HOW DOES A SYMMETRIC DIMER RECOGNIZE AN ASYMMETRIC SUBSTRATE? A SUBSTRATE COMPLEX OF HIV-1 PROTEASE. Deposited 2000-06-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE
|
Mutation：Q7K D25N Mutation：Q7K D25N | ACT ACETATE ION × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.233 |
| 1KJ4 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；Ammonium Sulphate, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.248 |
| 1KJ4 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain D
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；Ammonium Sulphate, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.248 |
| 1KJ4 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain C
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain D
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 48 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；Ammonium Sulphate, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.248 |
| 1KJ7 SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 5 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.249 |
| 1KJF SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；AMMONIUM SULPHATE, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.251 |
| 1KJG SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；AMMONIUM SULPHATE, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.226 |
| 1KJH SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES Deposited 2001-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
Chain B
57–155（99 aa）
Fragment：HIV-1 PROTEASE, RESIDUES 57-155
|
Mutation：D25N,Q7K Mutation：D25N,Q7K | ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；AMMONIUM SULPHATE, SODIUM CITRATE, SODIUM PHOSPHATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.227 |
| 1KZK JE-2147-HIV Protease Complex Deposited 2002-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, K14R, S37N, R41K, L63P, I64V Mutation：Q7K, K14R, S37N, R41K, L63P, I64V | JE2 (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide × 1 CL CHLORIDE ION × 5 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaAc, NaCl, EDTA, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.09 Å R-free 0.189 |
| 1MT7 Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy Deposited 2002-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, D25N, L63P, V82A Mutation：Q7K, D25N, L63P, V82A | ACT ACETATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2,
VAPOR DIFFUSION, HANGING DROP at 298K
|
Resolution 1.90 Å R-free 0.227 |
| 1MT8 Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy Deposited 2002-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, D25N, L63P, V82A Mutation：Q7K, D25N, L63P, V82A | ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2,
VAPOR DIFFUSION, HANGING DROP at 298K
|
Resolution 2.15 Å R-free 0.243 |
| 1MT9 Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy Deposited 2002-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, D25N, L63P, V82A Mutation：Q7K, D25N, L63P, V82A | PO4 PHOSPHATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2,
VAPOR DIFFUSION, HANGING DROP at 298K
|
Resolution 2.00 Å R-free 0.210 |
| 1MTB Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy Deposited 2002-09-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, D25N, L63P, V82A Mutation：Q7K, D25N, L63P, V82A | ROC (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2,
VAPOR DIFFUSION, HANGING DROP at 298K
|
Resolution 2.50 Å R-free 0.257 |
| 1MTR HIV-1 PROTEASE COMPLEXED WITH A CYCLIC PHE-ILE-VAL PEPTIDOMIMETIC INHIBITOR Deposited 1996-02-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 PI6 [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；pH 5.5
|
Resolution 1.75 Å R-free 0.244 |
| 1N49 Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy Deposited 2002-10-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K, D25N, V82A Mutation：Q7K, D25N, V82A | RIT RITONAVIR × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.20 Å R-free 0.284 |
| 1N49 Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy Deposited 2002-10-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
57–155（99 aa）
Chain D
57–155（99 aa）
|
Mutation：Q7K, D25N, V82A Mutation：Q7K, D25N, V82A | RIT RITONAVIR × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；sodium phosphate, sodium citrate, ammonium sulphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.20 Å R-free 0.284 |
| 1T3R HIV protease wild-type in complex with TMC114 inhibitor Deposited 2004-04-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K,L63P Mutation：Q7K,L63P | PO4 PHOSPHATE ION × 5 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；1 MG/ML PROTEIN; 5:1 LIGAND:PROTEIN; 30% AMSOR; SODIUM CITRATE AND SODIUM PHOSPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.20 Å R-free 0.179 |
| 1TSQ CRYSTAL STRUCTURE OF AP2V SUBSTRATE VARIANT OF NC-P1 DECAMER PEPTIDE IN COMPLEX WITH V82A/D25N HIV-1 PROTEASE MUTANT Deposited 2004-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：protease
Chain B
57–155（99 aa）
Fragment：protease
|
Mutation：Q7K,D25N,L63P,V82A Mutation：Q7K,D25N,L63P,V82A | ACT ACETATE ION × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.231 |
| 1TSU CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT Deposited 2004-06-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Fragment：Protease
Chain B
57–155（99 aa）
Fragment：Protease
|
Mutation：Q7K,D25N,L63P Mutation：Q7K,D25N,L63P | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；SODIUM PHOSPHATE, SODIUM CITRATE, AMMONIUM SULPHATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.234 |
| 1YTG SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT Deposited 1996-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：CHAIN A, B, Q7K Mutation：CHAIN A, B, Q7K | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.285 |
| 1YTH SIV PROTEASE CRYSTALLIZED WITH PEPTIDE PRODUCT Deposited 1996-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：CHAIN A, B, Q7K Mutation：CHAIN A, B, Q7K | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.283 |
| 1Z1H HIV-1 protease complexed with macrocyclic peptidomimetic inhibitor 3 Deposited 2005-03-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 protease
Chain B
57–155（99 aa）
Fragment：HIV-1 protease
|
Mutation：Gln7Lys Leu33Ile Cys67Aba Cys95Aba Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Gln7Lys Leu33Ile Cys67Aba Cys95Aba Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 HBB N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；30-60% ammonium sulfate, 0.1M acetate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.231 |
| 1Z1R HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2 Deposited 2005-03-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Fragment：HIV-1 protease
Chain B
57–155（99 aa）
Fragment：HIV-1 protease
|
Mutation：Gln7Lys Leu33Ile Cys67Aba Cys95Aba Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Gln7Lys Leu33Ile Cys67Aba Cys95Aba Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 HBH 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；30-60% ammonium sulfate, 0.1M acetate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.85 Å R-free 0.209 |
| 2AID STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN Deposited 1997-04-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K Mutation：Q7K | CL CHLORIDE ION × 2 THK 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.4；pH 5.4
|
Resolution 1.90 Å |
| 2F3K Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease Deposited 2005-11-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
490–588（99 aa）
Chain B
490–588（99 aa）
|
Mutation：Q7K; L63P Mutation：Q7K; L63P | PO4 PHOSPHATE ION × 5 RO1 (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；0.126M Sodium Acetate; 0.063M Sodium citrate, 25-30% Ammonium sulphate, pH 5.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 1.60 Å R-free 0.197 |
| 3AID A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND CHEMICAL SYNTHESIS OF AN AMINIMIDE PEPTIDE ISOSTERE Deposited 1997-05-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：Q7K Mutation：Q7K | ARQ BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.4；pH 5.4
|
Resolution 2.50 Å |
| 3BXR Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism Deposited 2008-01-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, D25N, L33I, C67(ABA), C95(ABA), Q107K, D125N, L133I, C167(ABA), C195(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q7K, D25N, L33I, C67(ABA), C95(ABA), Q107K, D125N, L133I, C167(ABA), C195(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 DRR (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；Acetate, (NH4)2SO4, pH5.5, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.60 Å R-free 0.204 |
| 3BXS Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism Deposited 2008-01-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, L33I, C67(ABA), C95(ABA), Q107K, L133I, C167(ABA), C195(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q7K, L33I, C67(ABA), C95(ABA), Q107K, L133I, C167(ABA), C195(ABA) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 DRS (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；Acetate, (NH4)2SO4, pH5.5, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.60 Å R-free 0.205 |
| 3EKP Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,L10I,G48V,I54V,V64I,V82A Mutation：Q7K,L10I,G48V,I54V,V64I,V82A | PO4 PHOSPHATE ION × 4 ACT ACETATE ION × 6 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Refer citation, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.15 Å R-free 0.254 |
| 3EKP Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
491–589（99 aa）
Fragment：UNP residues 491-589
Chain D
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,L10I,G48V,I54V,V64I,V82A Mutation：Q7K,L10I,G48V,I54V,V64I,V82A | ACT ACETATE ION × 6 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Refer citation, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.15 Å R-free 0.254 |
| 3EKQ Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper) Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, L10I, G48V, I54V, V64I, V82T Mutation：Q7K, L10I, G48V, I54V, V64I, V82T | ROC (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide × 1 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.20 Å R-free 0.246 |
| 3EKT Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.) Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,L10I,G48V,I54V,V64I, V82A Mutation：Q7K,L10I,G48V,I54V,V64I, V82A | ACT ACETATE ION × 3 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Refer citation, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.97 Å R-free 0.258 |
| 3EKT Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.) Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
491–589（99 aa）
Fragment：UNP residues 491-589
Chain D
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,L10I,G48V,I54V,V64I, V82A Mutation：Q7K,L10I,G48V,I54V,V64I, V82A | ACT ACETATE ION × 5 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 PO4 PHOSPHATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；Refer citation, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.97 Å R-free 0.258 |
| 3EKV Crystal structure of the wild type HIV-1 protease with the inhibitor, Amprenavir Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,V64I Mutation：Q7K,V64I | 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 1 ACT ACETATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；126mM Sodium Phosphate pH 6.2; 63mM sodium citrate; 24-29% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.75 Å R-free 0.226 |
| 3EKW Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation. Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,L10I,G48V,I54V,V64I,V82A Mutation：Q7K,L10I,G48V,I54V,V64I,V82A | PO4 PHOSPHATE ION × 3 DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.60 Å R-free 0.223 |
| 3EKX Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, V64I Mutation：Q7K, V64I | 1UN 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；126mM Sodium Phosphate pH 6.2; 63mM sodium citrate; 24-29% ammonium sulphate
, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.97 Å R-free 0.230 |
| 3EKY Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,V64I Mutation：Q7K,V64I | DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 PO4 PHOSPHATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；126mM Sodium Phosphate pH 6.2; 63mM sodium citrate; 24-29% ammonium sulphate
, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.80 Å R-free 0.209 |
| 3EL0 Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation) Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, L10I, G48V, I54V, V64I, V82A Mutation：Q7K, L10I, G48V, I54V, V64I, V82A | 1UN 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE × 1 PO4 PHOSPHATE ION × 2 ACT ACETATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.250 |
| 3EL1 Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K Mutation：Q7K | DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；126mM Sodium Phosphate pH 6.2; 63mM sodium citrate; 24-29% ammonium sulphate
, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.70 Å R-free 0.205 |
| 3EL4 Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V Deposited 2008-09-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, V64I, V82T, I84V Mutation：Q7K, V64I, V82T, I84V | ROC (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.00 Å R-free 0.223 |
| 3EL5 Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease Deposited 2008-09-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, K41R, V64I, V82T, I84V Mutation：Q7K, K41R, V64I, V82T, I84V | ACT ACETATE ION × 11 1UN 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.60 Å R-free 0.225 |
| 3EL9 Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V) Deposited 2008-09-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 484-582
Chain B
491–589（99 aa）
Fragment：UNP residues 484-582
|
Mutation：Q7K, V82T, I84V Mutation：Q7K, V82T, I84V | DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 ACT ACETATE ION × 1 PO4 PHOSPHATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 1.60 Å R-free 0.217 |
| 3EM3 Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V). Deposited 2008-09-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K,I50L,V64I,A71V Mutation：Q7K,I50L,V64I,A71V | ACT ACETATE ION × 4 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.20 Å R-free 0.247 |
| 3EM4 Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease Deposited 2008-09-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, I50L, A71V Mutation：Q7K, I50L, A71V | DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 PO4 PHOSPHATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.10 Å R-free 0.249 |
| 3EM4 Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease Deposited 2008-09-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain U
491–589（99 aa）
Fragment：UNP residues 491-589
Chain V
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, I50L, A71V Mutation：Q7K, I50L, A71V | DR7 (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER × 1 PO4 PHOSPHATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.10 Å R-free 0.249 |
| 3EM6 Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir Deposited 2008-09-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：UNP residues 491-589
Chain B
491–589（99 aa）
Fragment：UNP residues 491-589
|
Mutation：Q7K, I50L, A71V Mutation：Q7K, I50L, A71V | 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 PO4 PHOSPHATE ION × 5 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.10 Å R-free 0.240 |
| 3GI0 Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [l-ala51,d-ala51'] hiv-1 protease molecule complexed with jg-365 inhibitor Deposited 2009-03-04 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.1M CITRATE, 0.2M SODIUM PHOPHATE,30% (W/V) AMMONIUM SULFATE, 10% (V/V) DMSO , PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
|
Resolution 1.80 Å R-free 0.237 |
| 3HVP CONSERVED FOLDING IN RETROVIRAL PROTEASES. CRYSTAL STRUCTURE OF A SYNTHETIC HIV-1 PROTEASE Deposited 1989-08-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å |
| 3LZV Structure of Nelfinavir-resistant HIV-1 protease (D30N/N88D) in complex with Darunavir. Deposited 2010-03-01 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D30N, N88D Mutation：Q7K, D30N, N88D | 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 PO4 PHOSPHATE ION × 5 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；300 K；126mM Sodium Phosphate pH 6.2; 63mM sodium citrate; 24-29% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
|
Resolution 2.15 Å R-free 0.236 |
| 3MXD Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease Deposited 2010-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：residues 491-589
Chain B
491–589（99 aa）
Fragment：residues 491-589
|
Not recorded | K53 (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide × 1 PO4 PHOSPHATE ION × 4 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.2；298 K；126 mM sodium phosphate pH 6.2, 63 mM sodium citrate, 24-29% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.95 Å R-free 0.201 |
| 3MXE Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease Deposited 2010-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Fragment：residues 491-589
Chain B
491–589（99 aa）
Fragment：residues 491-589
|
Not recorded | K54 (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide × 1 PO4 PHOSPHATE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；126 mM sodium phosphate pH6.2, 63mM sodium citrate, 24%-29% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.223 |
| 3OXV Crystal Structure of HIV-1 I50V, A71 Protease in Complex with the protease inhibitor amprenavir. Deposited 2010-09-22 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, I50V, A71V Mutation：Q7K, I50V, A71V | 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 2 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.75 Å R-free 0.205 |
| 3OXV Crystal Structure of HIV-1 I50V, A71 Protease in Complex with the protease inhibitor amprenavir. Deposited 2010-09-22 | Different ligand/ion Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, I50V, A71V Mutation：Q7K, I50V, A71V | 478 {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.75 Å R-free 0.205 |
| 3OXW Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir Deposited 2010-09-22 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, I50V, A71V Mutation：Q7K, I50V, A71V | 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 PO4 PHOSPHATE ION × 2 ACT ACETATE ION × 3 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.95 Å R-free 0.218 |
| 3OXW Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir Deposited 2010-09-22 | Different ligand/ion Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, I50V, A71V Mutation：Q7K, I50V, A71V | 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 PO4 PHOSPHATE ION × 1 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 3 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.95 Å R-free 0.218 |
| 3OY4 Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir. Deposited 2010-09-22 | Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, L76V Mutation：Q7K, L76V | PO4 PHOSPHATE ION × 4 ACT ACETATE ION × 7 017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.76 Å R-free 0.219 |
| 4EP2 Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH Deposited 2012-04-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
|
Not recorded | GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.90 Å R-free 0.261 |
| 4EP3 Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2 Deposited 2012-04-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
|
Not recorded | GOL GLYCEROL × 3 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.81 Å R-free 0.227 |
| 4EPJ Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC Deposited 2012-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
|
Not recorded | GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.69 Å R-free 0.227 |
| 4EQ0 Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC Deposited 2012-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
|
Not recorded | BME BETA-MERCAPTOETHANOL × 1 EDO 1,2-ETHANEDIOL × 3 GOL GLYCEROL × 3 ACT ACETATE ION × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.70 Å R-free 0.264 |
| 4EQJ Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH Deposited 2012-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
491–589（99 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.80 Å R-free 0.239 |
| 4F73 Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site Deposited 2012-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Not recorded | ACT ACETATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-31% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.90 Å R-free 0.223 |
| 4F74 Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA. Deposited 2012-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-31% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.20 Å R-free 0.207 |
| 4F75 Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN Deposited 2012-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Not recorded | GOL GLYCEROL × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-31% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.70 Å R-free 0.193 |
| 4F76 Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate Deposited 2012-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-31% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.85 Å R-free 0.196 |
| 4HVP Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution Deposited 1989-08-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 2NC N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 4OBD Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, N88D Mutation：Q7K, D25N, D30N, N88D | GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；24% PEG 5000, 0.3M ammonium sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.248 |
| 4OBD Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, N88D Mutation：Q7K, D25N, D30N, N88D | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；24% PEG 5000, 0.3M ammonium sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.90 Å R-free 0.248 |
| 4OBF Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, V64I, N88D Mutation：Q7K, D25N, D30N, V64I, N88D | GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 5 PO4 PHOSPHATE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；32% Ammonium Sulphate, 63mM Sodium Citrate, 126mM Sodium Phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.68 Å R-free 0.229 |
| 4OBF Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, V64I, N88D Mutation：Q7K, D25N, D30N, V64I, N88D | GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 4 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；32% Ammonium Sulphate, 63mM Sodium Citrate, 126mM Sodium Phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.68 Å R-free 0.229 |
| 4OBG Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate. Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, N88D Mutation：Q7K, D25N, D30N, N88D | GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；28% PEG 5000, 0.1M ammonium sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.78 Å R-free 0.255 |
| 4OBG Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate. Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, D30N, N88D Mutation：Q7K, D25N, D30N, N88D | GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；28% PEG 5000, 0.1M ammonium sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.78 Å R-free 0.255 |
| 4OBH Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, V64I Mutation：Q7K, D25N, V64I | GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；28% PEG MME 5000, 0.2M Ammonium Sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.85 Å R-free 0.209 |
| 4OBH Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, V64I Mutation：Q7K, D25N, V64I | GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 7 ACT ACETATE ION × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；28% PEG MME 5000, 0.2M Ammonium Sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.85 Å R-free 0.209 |
| 4OBJ Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, V64I Mutation：Q7K, D25N, V64I | GOL GLYCEROL × 3 ACT ACETATE ION × 3 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；1.0M Ammonium Sulphate, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.75 Å R-free 0.183 |
| 4OBK Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N) Deposited 2014-01-07 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, V64I, D25N Mutation：Q7K, V64I, D25N | GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；1.0M Ammonium sulphate, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.65 Å R-free 0.211 |
| 4QJ6 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (L449F) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, I50V, A71V Mutation：Q7K, D25N, I50V, A71V | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.50 Å R-free 0.208 |
| 4QJ6 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (L449F) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, I50V, A71V Mutation：Q7K, D25N, I50V, A71V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.50 Å R-free 0.208 |
| 4QJ7 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (R452S) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, N25D, D25N, I50V, A71V Mutation：Q7K, N25D, D25N, I50V, A71V | PO4 PHOSPHATE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.67 Å R-free 0.229 |
| 4QJ7 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (R452S) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, N25D, D25N, I50V, A71V Mutation：Q7K, N25D, D25N, I50V, A71V | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.67 Å R-free 0.229 |
| 4QJ8 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (P453L) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N, I50V, A71V Mutation：Q7K, D25N, I50V, A71V | GOL GLYCEROL × 3 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.00 Å R-free 0.239 |
| 4QJ8 Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (P453L) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
491–589（99 aa）
Chain D
491–589（99 aa）
|
Mutation：Q7K, D25N, I50V, A71V Mutation：Q7K, D25N, I50V, A71V | PO4 PHOSPHATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.00 Å R-free 0.239 |
| 4QJ9 Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (R452S) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, N25D, D25N, A71V Mutation：Q7K, N25D, D25N, A71V | PO4 PHOSPHATE ION × 4 GOL GLYCEROL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.83 Å R-free 0.207 |
| 4QJA Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (P453L) Deposited 2014-06-03 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
491–589（99 aa）
Chain B
491–589（99 aa）
|
Mutation：Q7K, D25N Mutation：Q7K, D25N | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.54 Å R-free 0.178 |
| 7HVP X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR Deposited 1990-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å |
| 8HVP STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR Deposited 1990-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å |
80 other PDB entries and 95 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | POL_HV1A2 |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–99； UniProt 491–589 Author chain B； PDBConstruct 1–99； UniProt 491–589 Author chain C； PDBConstruct 1–99； UniProt 491–589 Author chain D； PDBConstruct 1–99； UniProt 491–589 |
