HIV-1 PROTEASE
Human immunodeficiency virus 1
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 57–155 Chain B； UniProt 57–155 | Not recorded | 846 [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN] METHYL-2-THIAZOLYLBENZAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions | Resolution 1.80 Å |
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 1QBU | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1A30 HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR Deposited 1998-01-27 | 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
69–167（99 aa）
Chain B
69–167（99 aa）
|
Mutation：Q7K, L33I, L63I Mutation：Q7K, L33I, L63I | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.2；pH 4.2
|
Resolution 2.00 Å R-free 0.227 |
| 1BV7 COUNTERACTING HIV-1 PROTEASE DRUG RESISTANCE: STRUCTURAL ANALYSIS OF MUTANT PROTEASES COMPLEXED WITH XV638 AND SD146, CYCLIC UREA AMIDES WITH BROAD SPECIFICITIES Deposited 1998-09-22 | 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：V82F Mutation：V82F | XV6 [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.00 Å |
| 1BV9 HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS Deposited 1998-09-22 | 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：I84V Mutation：I84V | XV6 [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.00 Å |
| 1BVE HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES Deposited 1996-01-16 | Different mutation/modification Different ligand/ion Different experimental method 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：C95A Mutation：C95A | DMP [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE × 1 | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1BVG HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE Deposited 1996-01-16 | Different mutation/modification Different ligand/ion Different experimental method 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：C95A Mutation：C95A | DMP [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE × 1 | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1BWA HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS Deposited 1998-09-22 | 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：V82F, I84V Mutation：V82F, I84V | XV6 [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.90 Å |
| 1BWB HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS Deposited 1998-09-22 | Different mutation/modification Different ligand/ion Different experimental conditions | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Mutation：V82F, I84V Mutation：V82F, I84V | 146 [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.80 Å |
| 1C0T CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326 Deposited 1999-07-19 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BM1 (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 9, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.276 |
| 1C0U CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 Deposited 1999-07-19 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BM5 (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；see reference 9, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.52 Å R-free 0.298 |
| 1C1B CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186 Deposited 1999-07-21 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GCA 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 10, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.255 |
| 1C1C CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123 Deposited 1999-07-21 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 612 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；SEE REFERENCE 10, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.315 |
| 1DMP STRUCTURE OF HIV-1 PROTEASE COMPLEX Deposited 1996-11-01 | 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
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) | DMQ [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.4；pH 5.4
|
Resolution 2.00 Å |
| 1DTQ CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) Deposited 2000-01-13 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FPT N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 11, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.295 |
| 1DTT CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) Deposited 2000-01-13 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FTC N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 11, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.276 |
| 1EP4 Crystal structure of HIV-1 reverse transcriptase in complex with S-1153 Deposited 2000-03-27 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S11 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 12, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.330 |
| 1ESK SOLUTION STRUCTURE OF NCP7 FROM HIV-1 Deposited 2000-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
388–429（42 aa）
Fragment：RESIDUES 12-53
|
Not recorded | ZN ZINC ION × 2 |
SOLUTION NMR
NMR measurement conditions
pH 6；293 K；Ionic strength (raw mmCIF value) n.a.；Pressure ambient
NMR sample composition
2mM (12-53)NCp7, 90%H2O, 10% D2O, pH 6.0 | 90% H2O/10% D2O
|
Resolution not provided |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | 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
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 10 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 24 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EX4 HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN Deposited 2000-04-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 9 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
Chain B
53–289（237 aa）
Fragment：CATALYTIC CORE AND C-TERMINAL DOMAINS
|
Mutation：C56S,W131D,F139D,F185K,C280S Mutation：C56S,W131D,F139D,F185K,C280S | CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；hepes, NaCL, CHAPS, formate, citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.80 Å R-free 0.306 |
| 1EXQ CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN Deposited 2000-05-03 | 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
771–924（154 aa）
Fragment：HIV-1 INTEGRASE CATALYTIC CORE
Chain B
771–924（154 aa）
Fragment：HIV-1 INTEGRASE CATALYTIC CORE
|
Mutation：C56S, W131D, F139D, F185K Mutation：C56S, W131D, F139D, F185K | CD CADMIUM ION × 4 CL CHLORIDE ION × 2 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；ammonium sulfate, cadmium chloride, Na citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 20K
|
Resolution 1.60 Å R-free 0.271 |
| 1FK9 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) Deposited 2000-08-09 | 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
587–1129（543 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EFZ (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 13, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.301 |
| 1FKO CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) Deposited 2000-08-10 | 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
587–1129（543 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Mutation：L103N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L103N | EFZ (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 13, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.287 |
| 1FKP CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE Deposited 2000-08-10 | 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
587–1129（543 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Mutation：L103N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L103N | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；see reference 13, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.281 |
| 1G6L 1.9A CRYSTAL STRUCTURE OF TETHERED HIV-1 PROTEASE Deposited 2000-11-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
57–155（99 aa）
|
Mutation：C95M | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å R-free 0.284 |
| 1HIV CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING Deposited 1992-02-12 | Different mutation/modification Different ligand/ion 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) | 1ZK 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å |
| 1HVH NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS Deposited 1997-12-13 | Different ligand/ion | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Not recorded | Q82 {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE} × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1HVR RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS Deposited 1994-02-14 | Different mutation/modification Different ligand/ion | 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) | XK2 [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1HWR MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS Deposited 1998-03-20 | Different ligand/ion | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Not recorded | 216 [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1HXB HIV-1 proteinase complexed with RO 31-8959 Deposited 1996-09-13 | Different ligand/ion 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 | 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 mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1JKH CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) Deposited 2001-07-12 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EFZ (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.303 |
| 1JLA CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651 Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：p66
Chain B
587–1026（440 aa）
Fragment：p51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TNK 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.273 |
| 1JLB CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：p66
Chain B
587–1026（440 aa）
Fragment：p51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 3.00 Å R-free 0.251 |
| 1JLC CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：p66
Chain B
587–1026（440 aa）
Fragment：p51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FTC N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 3.00 Å R-free 0.282 |
| 1JLE CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 2.80 Å R-free 0.337 |
| 1JLF CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：p66
Chain B
587–1026（440 aa）
Fragment：p51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 2.60 Å R-free 0.303 |
| 1JLG CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：p66
Chain B
587–1026（440 aa）
Fragment：p51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UC1 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 2.60 Å R-free 0.292 |
| 1JLQ CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94 Deposited 2001-07-16 | 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
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SBN 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.00
|
Resolution 3.00 Å R-free 0.267 |
| 1KLM HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152 Deposited 1997-03-17 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SPP (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.65 Å R-free 0.313 |
| 1LV1 Crystal Structure Analysis of the non-active site mutant of tethered HIV-1 protease to 2.1A resolution Deposited 2002-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
57–155（99 aa）
|
Mutation：C95M/C1095A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；5% saturated ammonium sulfate, 200mM sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.260 |
| 1LW0 CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE Deposited 2002-05-30 | 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
156–715（560 aa）
Fragment：p66
Chain B
156–595（440 aa）
Fragment：p51
|
Mutation：T215Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：T215Y | PO4 PHOSPHATE ION × 2 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.301 |
| 1LW2 CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91 Deposited 2002-05-30 | 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
156–715（560 aa）
Fragment：p66
Chain B
156–595（440 aa）
Fragment：p51
|
Mutation：T215Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：T215Y | PO4 PHOSPHATE ION × 2 U05 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.267 |
| 1LWC CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE Deposited 2002-05-31 | 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
156–715（560 aa）
Fragment：p66
Chain B
156–595（440 aa）
Fragment：p51
|
Mutation：M184V Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M184V | PO4 PHOSPHATE ION × 2 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.62 Å R-free 0.279 |
| 1LWE CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE Deposited 2002-05-31 | 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
156–715（560 aa）
Fragment：p66
Chain B
156–595（440 aa）
Fragment：p51
|
Mutation：M41L/T215Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M41L/T215Y | PO4 PHOSPHATE ION × 1 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.81 Å R-free 0.302 |
| 1LWF CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE Deposited 2002-05-31 | 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
156–715（560 aa）
Fragment：p66
Chain B
156–595（440 aa）
Fragment：p51
|
Mutation：M41L/D67N/K70R/M184V/T215Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M41L/D67N/K70R/M184V/T215Y | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.289 |
| 1NCP STRUCTURAL CHARACTERIZATION OF A 39 RESIDUE SYNTHETIC PEPTIDE CONTAINING THE TWO ZINC BINDING DOMAINS FROM THE HIV-1 P7 NUCLEOCAPSID PROTEIN BY CD AND NMR SPECTROSCOPY Deposited 1991-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain N
389–405（17 aa）
|
Not recorded | ZN ZINC ION × 2 | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1O1W SOLUTION STRUCTURE OF THE RNASE H DOMAIN OF THE HIV-1 REVERSE TRANSCRIPTASE IN THE PRESENCE OF MAGNESIUM Deposited 2003-02-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
582–715（134 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.8；298 K；Pressure AMBIENT
NMR sample composition
1.1 MM RNASE H U-15N, 13C MM TRIS, PH6.8; 90% H20, 10% D20
|
Resolution not provided |
| 1ODW Native HIV-1 Proteinase Deposited 1996-09-16 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
489–587（99 aa）
Chain B
489–587（99 aa）
|
Not recorded | 0E8 di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å |
| 1ODX HIV-1 Proteinase mutant A71T, V82A Deposited 1996-09-16 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
489–587（99 aa）
Chain B
489–587（99 aa）
|
Mutation：A71T, V82A Mutation：A71T, V82A | 0E8 di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å |
| 1QBR HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY Deposited 1997-04-25 | Different ligand/ion | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
57–155（99 aa）
Chain B
57–155（99 aa）
|
Not recorded | XV6 [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1QBS HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY Deposited 1997-04-25 | Different mutation/modification Different ligand/ion | 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) | DMP [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å |
| 1QBT HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY Deposited 1997-04-25 | Different ligand/ion 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 | 146 [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å |
| 1REV HIV-1 REVERSE TRANSCRIPTASE Deposited 1995-09-17 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 TB9 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å |
| 1RT1 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 Deposited 1996-03-16 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MKC 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.55 Å |
| 1RT2 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 Deposited 1996-03-16 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TNK 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.55 Å |
| 1RT3 AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91 Deposited 1998-06-29 | 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
156–715（560 aa）
Chain B
65–504（440 aa）
|
Mutation：D67N, K70R, T215F, K219Q Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D67N, K70R, T215F, K219Q | U05 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 3.00 Å R-free 0.335 |
| 1RT4 HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 Deposited 1998-07-29 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 1 UC1 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.90 Å R-free 0.295 |
| 1RT5 HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 Deposited 1998-07-29 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 1 UC2 N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.90 Å R-free 0.291 |
| 1RT6 HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 Deposited 1998-07-29 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 1 UC3 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 2.80 Å R-free 0.335 |
| 1RT7 HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 Deposited 1998-07-29 | 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
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 1 UC4 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；pH 5.0
|
Resolution 3.00 Å R-free 0.335 |
| 1RTD STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE Deposited 1998-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric |
Chain B
156–595（440 aa）
Fragment：P50
|
Not recorded | MG MAGNESIUM ION × 4 TTP THYMIDINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 3.20 Å R-free 0.298 |
| 1RTD STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE Deposited 1998-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric |
Chain D
156–595（440 aa）
Fragment：P50
|
Not recorded | MG MAGNESIUM ION × 2 TTP THYMIDINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 3.20 Å R-free 0.298 |
| 1RTH HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES Deposited 1995-05-03 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | U05 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 1RTI HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES Deposited 1995-05-03 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEF 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.00 Å |
| 1RTJ MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS Deposited 1995-05-03 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 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 2.35 Å |
| 1S1T Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 Deposited 2004-01-07 | 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
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Mutation：L100I Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L100I | PO4 PHOSPHATE ION × 2 UC1 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.274 |
| 1S1U Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine Deposited 2004-01-07 | 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
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Mutation：L100I Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L100I | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.285 |
| 1S1V Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651 Deposited 2004-01-07 | 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
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Mutation：L100I Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L100I | TNK 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.313 |
| 1S1W Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781 Deposited 2004-01-07 | 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
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Mutation：V106A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：V106A | UC1 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.280 |
| 1S1X Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine Deposited 2004-01-07 | 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
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Mutation：V108I Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：V108I | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.295 |
| 1T05 HIV-1 reverse transcriptase crosslinked to template-primer with tenofovir-diphosphate bound as the incoming nucleotide substrate Deposited 2004-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric |
Chain B
156–584（429 aa）
Fragment：HIV-1 reverse transcriptase p51 subunit
|
Mutation：C280S | MG MAGNESIUM ION × 2 TNV [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE × 1 GOL GLYCEROL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；50 mM MES, pH 6.4, 100 mM ammonium sulfate, 5% sucrose, 5% glycerol, 10% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.292 |
| 1TAM HUMAN IMMUNODEFICIENCY VIRUS, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1996-02-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–131（131 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR mmCIF provides none of the parsed conditions | Resolution not provided |
| 1TKT CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 Deposited 2004-06-09 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 3 MG MAGNESIUM ION × 1 H12 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å R-free 0.282 |
| 1TKX CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 Deposited 2004-06-09 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GWB 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.85 Å R-free 0.287 |
| 1TKZ CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576 Deposited 2004-06-09 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 3 H16 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.81 Å R-free 0.283 |
| 1TL1 CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211 Deposited 2004-06-09 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
156–715（560 aa）
Fragment：P66
Chain B
156–595（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 3 H18 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.90 Å R-free 0.281 |
| 1TL3 Crystal structure of hiv-1 reverse transcriptase in complex with gw450557 Deposited 2004-06-09 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Fragment：P66
Chain B
587–1026（440 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 3 H20 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å R-free 0.286 |
| 1VRT HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES Deposited 1995-04-19 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 1VRU HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES Deposited 1995-04-19 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
587–1146（560 aa）
Chain B
587–1026（440 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AAP ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å |
| 2HND Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine Deposited 2006-07-12 | 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
590–1123（534 aa）
Fragment：P66
Chain B
593–1014（422 aa）
Fragment：P51
|
Mutation：y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：y | PO4 PHOSPHATE ION × 3 MG MAGNESIUM ION × 1 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.269 |
| 2HNY Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine Deposited 2006-07-13 | 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
590–1123（534 aa）
Fragment：P66
Chain B
593–1014（422 aa）
Fragment：P51
|
Mutation：Y Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y | PO4 PHOSPHATE ION × 3 MG MAGNESIUM ION × 1 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.284 |
| 2HNZ Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2 Deposited 2006-07-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
590–1123（534 aa）
Fragment：P66
|
Mutation：E138K Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 2 PC0 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.277 |
| 2KOD A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA Deposited 2009-09-18 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
276–363（88 aa）
Chain B
276–363（88 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 25；Pressure ambient
NMR sample composition
1.4 mM [U-100% 13C; U-100% 15N] HIV-1 CA C-terminal domain, 1.4 mM NATURAL ABUNDANCE HIV-1 CA C-terminal domain, 25 mM sodium phosphate, 2 mM DTT, 0.02 % sodium azide, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
2 mM [U-100% 13C; U-100% 15N] HIV-1 CA C-terminal domain, 25 mM sodium phosphate, 2 mM DTT, 0.02 % sodium azide, 93% H2O/7% D2O | 93% H2O/7% D2O
|
Resolution not provided |
| 2OPP Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X. Deposited 2007-01-30 | 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
591–1132（542 aa）
Fragment：P66
Chain B
592–1018（427 aa）
Fragment：P51
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 3 MG MAGNESIUM ION × 1 HBQ ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.55 Å R-free 0.295 |
| 2OPQ Crystal Structure of L100I Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. Deposited 2007-01-30 | 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
591–1124（534 aa）
Fragment：P66
Chain B
592–1015（424 aa）
Fragment：P51
|
Mutation：Leu100Ile Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Leu100Ile | PO4 PHOSPHATE ION × 1 HBQ ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.273 |
| 2OPR Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. Deposited 2007-01-30 | 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
589–1135（547 aa）
Fragment：P66
Chain B
593–1018（426 aa）
Fragment：P51
|
Mutation：K101E Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：K101E | HBQ ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.303 |
| 2OPS Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. Deposited 2007-01-30 | 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
589–1130（542 aa）
Fragment：P66
Chain B
593–1027（435 aa）
Fragment：P51
|
Mutation：Y188C Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y188C | PO4 PHOSPHATE ION × 2 HBQ ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.301 |
| 2RF2 HIV reverse transcriptase in complex with inhibitor 7e (NNRTI) Deposited 2007-09-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：HIV-1 reverse transcriptase
Chain B
588–1027（440 aa）
Fragment：HIV-1 reverse transcriptase
|
Not recorded | MRX 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.258 |
| 2RKI Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI Deposited 2007-10-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | TT1 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 5 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；protein was concentrated to 20mg/ml in 10mM Tris pH 7.0, 25mM KCl, 1mM DTT. Protein was mixed 1:1 with resevoir solution containing 1.3M ammonium sulfate, 0.1M sodium cacodylate pH 6.5, 0.05M sodium malontate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.270 |
| 2WOM Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N). Deposited 2009-07-27 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：P66, RESIDUES 588-1147
Chain B
588–1027（440 aa）
Fragment：P51, RESIDUES 588-1027
|
Mutation：YES Mutation：YES | ZZE 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.20 Å R-free 0.257 |
| 2WON Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type). Deposited 2009-07-27 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：P66, RESIDUES 588-1147
Chain B
588–1027（440 aa）
Fragment：P51, RESIDUES 588-1027
|
Not recorded | ZZE 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å R-free 0.271 |
| 2YNF HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 Deposited 2012-10-14 | 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
588–1147（560 aa）
Chain B
588–1015（428 aa）
Fragment：RESIDUES 588-1015
|
Mutation：YES | MG MAGNESIUM ION × 3 TAR D(-)-TARTARIC ACID × 1 WHU 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；100MM HEPES PH7.5, 10MM SPERMIDINE, 1.1M SODIUM POTASSIUM TARTRATE
|
Resolution 2.36 Å R-free 0.236 |
| 2YNG HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 Deposited 2012-10-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1015（428 aa）
Fragment：RESIDUES 588-1015
|
Not recorded | MG MAGNESIUM ION × 3 SRT S,R MESO-TARTARIC ACID × 1 WHU 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；100MM HEPES PH 7.5, 10MM SPERMIDINE, 1.1M SODIUM POTASSIUM TARTRATE
|
Resolution 2.12 Å R-free 0.241 |
| 2YNH HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 Deposited 2012-10-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1015（428 aa）
Fragment：RESIDUES 588-1015
|
Not recorded | TAR D(-)-TARTARIC ACID × 1 EUR 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；100MM HEPES PH 7.5, 10MM SPERMIDINE, 1.1M SODIUM POTASSIUM TARTRATE
|
Resolution 2.90 Å R-free 0.262 |
| 2YNI HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 Deposited 2012-10-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1015（428 aa）
Fragment：RESIDUES 588-1015
|
Not recorded | MG MAGNESIUM ION × 1 TAR D(-)-TARTARIC ACID × 1 CXD 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；100MM HEPES PH 7.5, 10MM SPERMIDINE, 1.1M SODIUM POTASSIUM TARTRATE
|
Resolution 2.49 Å R-free 0.254 |
| 3C6T Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 Deposited 2008-02-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | M14 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；Sodium Citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.281 |
| 3C6U Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22 Deposited 2008-02-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | M22 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.275 |
| 3DI6 HIV-1 RT with pyridazinone non-nucleoside inhibitor Deposited 2008-06-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1148（561 aa）
Fragment：UNP residues 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP residues 588-1027
|
Not recorded | PDZ 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；298 K；1.15 M sodium malonate, 50 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.65 Å R-free 0.265 |
| 3DI6 HIV-1 RT with pyridazinone non-nucleoside inhibitor Deposited 2008-06-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Fragment：UNP residues 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP residues 588-1027
|
Not recorded | PDZ 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；298 K；1.15 M sodium malonate, 50 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.65 Å R-free 0.265 |
| 3DLE Crystal structure of hiv-1 reverse transcriptase in complex with GF128590. Deposited 2008-06-27 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GFA 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.296 |
| 3DLG Crystal structure of hiv-1 reverse transcriptase in complex with GW564511. Deposited 2008-06-27 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 2 GWE N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.299 |
| 3DM2 Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. Deposited 2008-06-30 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：K103N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：K103N | PO4 PHOSPHATE ION × 2 GWE N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 3.10 Å R-free 0.307 |
| 3DMJ CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511. Deposited 2008-07-01 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：V106A,Y181C Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：V106A,Y181C | PO4 PHOSPHATE ION × 2 GWE N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.284 |
| 3DOK Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248. Deposited 2008-07-04 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：K103N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：K103N | PO4 PHOSPHATE ION × 1 GWJ 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.312 |
| 3DOL Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634. Deposited 2008-07-04 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：L100I Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 2 GWI N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.288 |
| 3DOX X-ray structure of HIV-1 protease in situ product complex Deposited 2008-07-07 | 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
489–587（99 aa）
|
Mutation：C95M, C1095A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.2；300 K；1-5% saturated ammonium sulfate, pH 6.2, Soaking, temperature 300.0K
|
Resolution 2.00 Å R-free 0.236 |
| 3DRP HIV reverse transcriptase in complex with inhibitor R8e Deposited 2008-07-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Not recorded | R8E 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.251 |
| 3DRR HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e Deposited 2008-07-11 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：Y181C Mutation：Y181C | R8E 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium sitrate
, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.89 Å R-free 0.269 |
| 3DRS HIV reverse transcriptase K103N mutant in complex with inhibitor R8D Deposited 2008-07-11 | 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
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Mutation：K103N Mutation：K103N | R8D 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.15 Å R-free 0.250 |
| 3DYA HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1 Deposited 2008-07-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Fragment：UNP RESIDUES 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP RESIDUES 588-1027
|
Not recorded | PZL 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.15 M SODIUM MALONATE, 50 mM POTASSIUM PHOSPHATE PH 7.2, 5% ETHYLENE GLYCOL, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.266 |
| 3E01 HIV-RT with non-nucleoside inhibitor annulated pyrazole 2 Deposited 2008-07-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Fragment：UNP RESIDUES 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP RESIDUES 588-1027
|
Not recorded | PZ2 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.4 M SODIUM MALONATE, 50 mM POTASSIUM PHOSPHATE pH 7.2, 5% ETHYLENE GLYCOL, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.95 Å R-free 0.279 |
| 3FFI HIV-1 RT with pyridone non-nucleoside inhibitor Deposited 2008-12-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：UNP residues 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP residues 588-1027
|
Not recorded | 3OB 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.15 M Na-Malonate, 50mM KPO4 pH 7.2, 5% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.285 |
| 3FFI HIV-1 RT with pyridone non-nucleoside inhibitor Deposited 2008-12-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：UNP residues 588-1148
Chain B
588–1027（440 aa）
Fragment：UNP residues 588-1027
|
Not recorded | 3OB 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.15 M Na-Malonate, 50mM KPO4 pH 7.2, 5% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.285 |
| 3I0R crystal structure of HIV reverse transcriptase in complex with inhibitor 3 Deposited 2009-06-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Not recorded | RT3 S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.98 Å R-free 0.295 |
| 3I0R crystal structure of HIV reverse transcriptase in complex with inhibitor 3 Deposited 2009-06-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：GAG-POL POLYPROTEIN P66 SUBUNIT
Chain B
588–1027（440 aa）
Fragment：GAG-POL POLYPROTEIN P51 SUBUNIT
|
Not recorded | RT3 S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.98 Å R-free 0.295 |
| 3I0S crystal structure of HIV reverse transcriptase in complex with inhibitor 7 Deposited 2009-06-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：Gag-Pol polyprotein P66 subunit
Chain B
588–1027（440 aa）
Fragment：Gag-Pol polyprotein P51 subunit
|
Not recorded | RT7 S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.285 |
| 3I0S crystal structure of HIV reverse transcriptase in complex with inhibitor 7 Deposited 2009-06-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：Gag-Pol polyprotein P66 subunit
Chain B
588–1027（440 aa）
Fragment：Gag-Pol polyprotein P51 subunit
|
Not recorded | RT7 S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.285 |
| 3KJV HIV-1 reverse transcriptase in complex with DNA Deposited 2009-11-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；3% PEG 4000, 0.05M MES pH 6.0, 5mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.321 |
| 3KK1 HIV-1 reverse transcriptase-DNA complex with nuceotide inhibitor GS-9148-diphosphate bound in nucleotide site Deposited 2009-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | SO4 SULFATE ION × 3 MG MAGNESIUM ION × 2 914 [(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；3% PEG4000, 0.05M MES pH 6.0, 5mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.274 |
| 3KK2 HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site Deposited 2009-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | SO4 SULFATE ION × 3 MG MAGNESIUM ION × 2 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；3% PEG4000, 0.05M MES pH 6.0, 5mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.259 |
| 3KK3 HIV-1 reverse transcriptase-DNA complex with GS-9148 terminated primer Deposited 2009-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；3% PEG4000, 0.05M MES pH 6.0, 5mM magnesium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.287 |
| 3KT2 Crystal Structure of N88D mutant HIV-1 Protease Deposited 2009-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
489–587（99 aa）
|
Mutation：N88D, C95M, N1088D, C1095M | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；1-5% saturated Ammonium Sulfate, 200/100mM Phosphate/Citrate Buffer, pH 6.2, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.65 Å R-free 0.208 |
| 3KT5 Crystal Structure of N88S mutant HIV-1 Protease Deposited 2009-11-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
489–587（99 aa）
|
Mutation：N88S, C95A, N1088S, C1095A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；1-5% saturated Ammonium Sulfate, 200/100mM Phosphate/Citrate Buffer, pH 6.2, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.80 Å R-free 0.225 |
| 3LAK Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor Deposited 2010-01-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | KR1 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile × 1 SO4 SULFATE ION × 4 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；1.3M ammonium sulfate, 100mM cacodylate, 5mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.30 Å R-free 0.274 |
| 3LAL Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor Deposited 2010-01-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | KRV 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3M ammonium sulfate, 100mM cacodylate, 5mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.51 Å R-free 0.267 |
| 3LAM Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor Deposited 2010-01-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | KRP 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3M ammonium sulfate, 100mM cacodylate, 5mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.76 Å R-free 0.280 |
| 3LAN Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor Deposited 2010-01-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | KBT 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile × 1 SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3M ammonium sulfate, 100mM cacodylate, 5mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.55 Å R-free 0.284 |
| 3LP0 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | MN MANGANESE (II) ION × 2 LP7 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate × 1 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.79 Å R-free 0.310 |
| 3LP0 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | MN MANGANESE (II) ION × 4 LP7 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate × 2 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.79 Å R-free 0.310 |
| 3LP1 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | LP8 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one × 1 MN MANGANESE (II) ION × 2 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.23 Å R-free 0.292 |
| 3LP1 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | LP8 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one × 2 MN MANGANESE (II) ION × 4 NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.23 Å R-free 0.292 |
| 3LP2 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | LP9 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium × 1 MN MANGANESE (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.80 Å R-free 0.296 |
| 3LP2 HIV-1 reverse transcriptase with inhibitor Deposited 2010-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | LP9 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium × 2 MN MANGANESE (II) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
sitting drop；pH 6.8；298 K；0.1 M Sodium cacodylate pH 6.8, 0.8 M Sodium Citrate, sitting drop, temperature 298K
|
Resolution 2.80 Å R-free 0.296 |
| 3M8P HIV-1 RT with NNRTI TMC-125 Deposited 2010-03-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Chain B
588–1027（440 aa）
|
Not recorded | 65B 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.4 M Na Malonate, 50mM KPO4 pH 7.2, 5% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.67 Å R-free 0.283 |
| 3M8Q HIV-1 RT with AMINOPYRIMIDINE NNRTI Deposited 2010-03-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Chain B
588–1027（440 aa）
|
Not recorded | DJZ 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.15M Na-Malonate, 5% Ethylene Glycol,100mM KPO4, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.252 |
| 3MEC HIV-1 Reverse Transcriptase in Complex with TMC125 Deposited 2010-03-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | 65B 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.270 |
| 3MED HIV-1 K103N Reverse Transcriptase in Complex with TMC125 Deposited 2010-03-31 | 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
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：K103N Mutation：K103N | 65B 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE × 1 SO4 SULFATE ION × 6 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.277 |
| 3MEE HIV-1 Reverse Transcriptase in Complex with TMC278 Deposited 2010-03-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | T27 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.261 |
| 3MEG HIV-1 K103N Reverse Transcriptase in Complex with TMC278 Deposited 2010-03-31 | 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
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：K103N Mutation：K103N | T27 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile × 1 SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.80 Å R-free 0.289 |
| 3N3I Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex Deposited 2010-05-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
489–587（99 aa）
Fragment：UNP residues 489-587
|
Mutation：G48V, G1048V, C95F, C1095F | 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；1-5% saturated Ammonium Sulfate, 200/100mM Phosphate/Citrate Buffer, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.253 |
| 3NBP HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 Deposited 2010-06-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1148（561 aa）
Chain B
588–1027（440 aa）
|
Not recorded | MN MANGANESE (II) ION × 2 JGZ 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；1.4 M Na-Malonate, 50mM KPO4 pH 7.2, 5% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.95 Å R-free 0.244 |
| 3PHV X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES Deposited 1991-11-04 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
69–167（99 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.70 Å |
| 3QIN Crystal Structure of HIV-1 RNase H p15 with engineered E. coli loop and pyrimidinol carboxylic acid inhibitor Deposited 2011-01-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1014–1093（80 aa）
Fragment：HIV-1 RNase H
Chain A
1104–1148（45 aa）
Fragment：HIV-1 RNase H
|
Not recorded | MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 1 P1Y 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.8M (NH4)2SO4, 100mM HEPES pH 7.5, and 3% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.253 |
| 3QIO Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor Deposited 2011-01-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1014–1093（80 aa）
Fragment：HIV-1 RNase H (UNP REsdieus 1014-1148),HIV-1 RNase H (UNP REsdieus 1014-1148),HIV-1 RNase H (UNP REsdieus 1014-1148)
Chain A
1104–1148（45 aa）
Fragment：HIV-1 RNase H (UNP REsdieus 1014-1148),HIV-1 RNase H (UNP REsdieus 1014-1148),HIV-1 RNase H (UNP REsdieus 1014-1148)
|
Not recorded | MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 1 QID 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；15% PEG 3350, 100mM HEPES pH 7.5, and 200mM LiSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.40 Å R-free 0.228 |
| 3QIP Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine Deposited 2011-01-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：p66 subunit (UNP residues 588-1147)
Chain B
588–1027（440 aa）
Fragment：p51 subunit (UNP Residues 588-1027)
|
Not recorded | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 MN MANGANESE (II) ION × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2 P4Y 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3M (NH4)2SO4, 5mM sodium malonate, and 100mM cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.09 Å R-free 0.267 |
| 3QIP Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine Deposited 2011-01-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：p66 subunit (UNP residues 588-1147)
Chain B
588–1027（440 aa）
Fragment：p51 subunit (UNP Residues 588-1027)
|
Not recorded | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 2 MN MANGANESE (II) ION × 4 SO4 SULFATE ION × 4 CL CHLORIDE ION × 4 P4Y 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3M (NH4)2SO4, 5mM sodium malonate, and 100mM cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.09 Å R-free 0.267 |
| 3T19 Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05 Deposited 2011-07-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：unp residues 588-1147
Chain B
588–1147（560 aa）
Fragment：unp residues 588-1147
|
Not recorded | 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 198K, temperature 298K
|
Resolution 2.60 Å R-free 0.248 |
| 3T19 Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05 Deposited 2011-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：unp residues 588-1147
Chain B
588–1147（560 aa）
Fragment：unp residues 588-1147
|
Not recorded | 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 198K, temperature 298K
|
Resolution 2.60 Å R-free 0.248 |
| 3T1A Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05 Deposited 2011-07-21 | 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
588–1147（560 aa）
Fragment：unp residues 588-1147
Chain B
588–1147（560 aa）
Fragment：unp residues 588-1147
|
Mutation：K103N Mutation：K103N | 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.250 |
| 3T1A Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05 Deposited 2011-07-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：unp residues 588-1147
Chain B
588–1147（560 aa）
Fragment：unp residues 588-1147
|
Mutation：K103N Mutation：K103N | 5MA 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.250 |
| 3TAM Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06 Deposited 2011-08-04 | 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
590–1147（558 aa）
Fragment：unp residues 590-1147
Chain B
588–1027（440 aa）
Fragment：unp residues 588-1027
|
Mutation：K103N Mutation：K103N | M06 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.51 Å R-free 0.249 |
| 4B3O Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface Deposited 2012-07-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：YES Mutation：YES | EFZ (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.2；277 K；RT COMPLEX WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 0.1M SODIUM CITRATE (PH5.2), 0.1M CACL2, 7.5% PEG400 (V/V). VAPOR DIFFUSION 4C.
|
Resolution 3.30 Å R-free 0.295 |
| 4B3P Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface Deposited 2012-07-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：YES Mutation：YES | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；RT COMPLEX WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 50MM SODIUM CACODYLATE PH6.5), 10MM MGCL2, 0.2M KCL, AND 10% PEG4000 (W/V). VAPOR DIFFUSION 4C.
|
Resolution 4.84 Å R-free 0.404 |
| 4B3Q Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface Deposited 2012-07-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：YES Mutation：YES | NVP 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；277 K；RT COMPLEX WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 1.8M (NH4)2SO4, 50MM TRIS HCL (PH8.5), AND 25MM MGSO4. VAPOR DIFFUSION 4C.
|
Resolution 5.00 Å R-free 0.407 |
| 4I7F HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine Deposited 2012-11-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：p66
Chain B
588–1027（440 aa）
Fragment：p51
|
Not recorded | NVE diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate × 1 SO4 SULFATE ION × 4 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate pH 6.5, 50mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.267 |
| 4I7F HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine Deposited 2012-11-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：p66
Chain B
588–1027（440 aa）
Fragment：p51
|
Not recorded | NVE diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate × 2 SO4 SULFATE ION × 8 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.4M ammonium sulfate, 100mM cacodylate pH 6.5, 50mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.267 |
| 4KSE Crystal structure of a HIV p51 (219-230) deletion mutant Deposited 2013-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
588–1017（430 aa）
Fragment：UNP residues 588-1029
|
Mutation：C280S | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；crystals grown from:
.1M imidazole, 4% galactose, 10% PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.68 Å R-free 0.240 |
| 4KV8 Crystal structure of HIV RT in complex with BILR0355BS Deposited 2013-05-22 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | MLA MALONIC ACID × 1 1WT 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
microbatch under oil；pH 7.2；298 K；2.2 to 2.5 M Na malonate, pH 7.2, microbatch under oil, temperature 298K
|
Resolution 2.30 Å R-free 0.266 |
| 4NCG Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses Deposited 2013-10-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：HIV-1 Reverse Transcriptase p66
Chain B
585–1027（443 aa）
Fragment：HIV-1 Reverse Transcriptase p51
|
Not recorded | 2KW 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.58 Å R-free 0.260 |
| 4NCG Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses Deposited 2013-10-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Fragment：HIV-1 Reverse Transcriptase p66
Chain B
585–1027（443 aa）
Fragment：HIV-1 Reverse Transcriptase p51
|
Not recorded | 2KW 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.58 Å R-free 0.260 |
| 4Q5M D30N tethered HIV-1 protease dimer/saquinavir complex Deposited 2014-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
489–587（99 aa）
|
Mutation：D30N, C95M, D1030N, C1095A | 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；1-5% SATURATED AMMONIUM SULFATE, 200/100MM PHOSPHATE/CITRATE BUFFER, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.79 Å R-free 0.235 |
| 5EU7 Crystal structure of HIV-1 integrase catalytic core in complex with Fab Deposited 2015-11-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1204–1356（153 aa）
Fragment：Catalytic Core Domain, UNP residues 36-188
Chain B
1204–1356（153 aa）
Fragment：Catalytic Core Domain, UNP residues 36-188
|
Mutation：F185K, W131D Mutation：F185K, W131D | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；20% PEG 3350, 100mM BisTrisPropane pH 7.0
|
Resolution 2.64 Å R-free 0.233 |
| 5HRN HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002 Deposited 2016-01-23 | 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
1197–1359（163 aa）
|
Mutation：F185K | CAC CACODYLATE ION × 4 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 65P (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Apo crystals grown by Kirsten Kahler in 0.1M Ammonium Sulfate,
0.1M Cacodylate pH 6.5,
7.5% Peg8K,
5mM MgCl,
5mM MnCl, and
5mM DTT
ligand soaked for 72 hours in well buffer + 30% eg (cryo) + 5% DMSO containing 50mM compound
|
Resolution 1.75 Å R-free 0.225 |
| 5HRP HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 Deposited 2016-01-24 | 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
1197–1359（163 aa）
|
Mutation：F185K, A124T | CAC CACODYLATE ION × 4 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 6 65P (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Apo crystals grown in
0.1M Ammonium Sulfate, 0.1M Cacidylate pH 6.5, 7.5% Peg8K,
5mM each of MgCl2 MnCl2, DTT
375mM compound in DMSO was added to
crystal cryo buffer (20:1) and soaked overnight
cryo contained the above with the addition of 30% ethylene glycol
|
Resolution 1.81 Å R-free 0.224 |
| 5HRR HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 Deposited 2016-01-24 | 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
1197–1359（163 aa）
|
Mutation：F185K, A124N, T125S | CAC CACODYLATE ION × 4 SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 2 65P (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；crystals grown in
0.1M Amm Sulfate,
0.1M cacodylate pH 6.5,
7.5% Peg8K,
5mM MgCl2,
5mM MnCl2,
5mM DTT
Ligand dissolved in DMSO at 375mM and added to cryo buffer for overnight soak (5%)
|
Resolution 1.88 Å R-free 0.235 |
| 5HRS HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 Deposited 2016-01-24 | 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
1197–1359（163 aa）
|
Mutation：F185K, T125A, A124N | CAC CACODYLATE ION × 4 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 65P (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Crystals grown in 0.1M Ammonium sulfate , 0.1M Cacodylate pH 6.5, 7.5% PEG8K, 5mM MgCl2, 5mM MnCl2, and 5mM DTT
Ligand dissolved at 375mM in DMSO and added to cryo buffer @5% overnight
Cryo buffer contains well buffer plus 30% ethylene glycol
|
Resolution 1.86 Å R-free 0.215 |
| 5J2M HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor Deposited 2016-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Fragment：unp residues 1-560
Chain B
588–1027（440 aa）
Fragment：unp residues 1-440
|
Mutation：Q258C, C280S Mutation：C280S | MG MAGNESIUM ION × 3 6FN 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291.1 K；8% PEG4000, 25mM MES pH 6.0, 5mM magnesium sulfate
|
Resolution 2.43 Å R-free 0.233 |
| 5J2N HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site Deposited 2016-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q258C, C280S Mutation：C280S | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291.1 K；8% PEG4000, 25mM MES pH 6.0, 5mM magnesium sulfate
|
Resolution 2.90 Å R-free 0.242 |
| 5J2P HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site Deposited 2016-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q258C, C280S Mutation：C280S | MG MAGNESIUM ION × 1 6FM 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291.1 K；8% PEG4000, 25mM MES pH 6.0, 5mM magnesium sulfate
|
Resolution 2.53 Å R-free 0.246 |
| 5J2Q HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site Deposited 2016-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q258C, C280S Mutation：C280S | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291.1 K；8% PEG4000, 25mM MES pH 6.0, 5mM magnesium sulfate
|
Resolution 2.79 Å R-free 0.252 |
| 5K14 HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog Deposited 2016-05-17 | 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
588–1147（560 aa）
|
Not recorded | IB1 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.0M K/Na tartrate
100mM MES pH 6.0
|
Resolution 2.40 Å R-free 0.261 |
| 5VZ6 HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide Deposited 2017-05-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
585–1147（563 aa）
Fragment：UNP residues 585-1149
Chain B
585–1027（443 aa）
Fragment：UNP residues 585-1027
|
Not recorded | 9TV 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；Sodium citrate, pH 6.1
|
Resolution 2.60 Å R-free 0.264 |
| 5VZ6 HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide Deposited 2017-05-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
585–1147（563 aa）
Fragment：UNP residues 585-1149
Chain B
585–1027（443 aa）
Fragment：UNP residues 585-1027
|
Not recorded | 9TV 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；Sodium citrate, pH 6.1
|
Resolution 2.60 Å R-free 0.264 |
| 5YRS X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate Deposited 2017-11-10 | 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
489–587（99 aa）
Chain B
489–587（99 aa）
|
Mutation：C95M Mutation：C95A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；0.1M PHOSPHATE-0.2M CITRATE BUFFER,
AMM. SULPHATE, PH 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE
298K
|
Resolution 1.76 Å R-free 0.250 |
| 6OR7 Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP Deposited 2019-04-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | 1RY [[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.53 Å R-free 0.249 |
| 6OTZ Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (+)FTC-TP Deposited 2019-05-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1145（558 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | SO4 SULFATE ION × 3 MG MAGNESIUM ION × 2 N8G [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.86 Å R-free 0.241 |
| 6P1I Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP Deposited 2019-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | SO4 SULFATE ION × 2 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.74 Å R-free 0.236 |
| 6P1X Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and L-ddCTP Deposited 2019-05-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | MG MAGNESIUM ION × 2 NQ4 [[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.55 Å R-free 0.230 |
| 6P2G Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and D-ddCTP Deposited 2019-05-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.99 Å R-free 0.267 |
| 6UIR HIV-1 M184V reverse transcriptase-DNA complex with (-)-FTC-TP Deposited 2019-10-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：M771V,Q845C,C867S Mutation：M771V,C867S | 1RY [[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；2% PEG 4000, 100mM MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.64 Å R-free 0.264 |
| 6UIS HIV-1 M184V reverse transcriptase-DNA complex with dCTP Deposited 2019-10-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：M771V,Q845C,C867S Mutation：M771V,C867S | DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；2% PEG 4000, 100mM MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.75 Å R-free 0.259 |
| 6UIT HIV-1 wild-type reverse transcriptase-DNA complex with dCTP Deposited 2019-10-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q845C, C867S Mutation：C867S | DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；2% PEG 4000, 100mM MES pH 6, 10mM magnesium sulfate
|
Resolution 2.81 Å R-free 0.256 |
| 6UJX HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP Deposited 2019-10-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q845C,C867S Mutation：C867S | SO4 SULFATE ION × 4 MG MAGNESIUM ION × 1 1RY [[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% PEG 4000, MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.70 Å R-free 0.244 |
| 6UJY HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP Deposited 2019-10-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q845C,C867S Mutation：C867S | 1RZ Lamivudine Triphosphate × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% PEG 4000, 100mM MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.59 Å R-free 0.234 |
| 6UJZ HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP Deposited 2019-10-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q845C,C867S Mutation：C867S | SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1 N8G [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% PEG 4000, 100mM MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.56 Å R-free 0.236 |
| 6UK0 HIV-1 M184V reverse transcriptase-DNA complex Deposited 2019-10-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：M771V, Q845C, C867S Mutation：M771V, C867S | MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；2% PEG 4000, 100mM MES pH 6.0, 10mM magnesium sulfate
|
Resolution 2.76 Å R-free 0.260 |
| 6WPF Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T Deposited 2020-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | D4M [(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE × 1 SO4 SULFATE ION × 4 MG MAGNESIUM ION × 3 D4T 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.53 Å R-free 0.231 |
| 6WPH Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)-FTC Deposited 2020-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | MG MAGNESIUM ION × 2 43X [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate × 1 SO4 SULFATE ION × 2 DGP 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.72 Å R-free 0.257 |
| 6WPJ Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T Deposited 2020-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：C280S, Q258C Mutation：C280S | D4T 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；6-10% (w/v) PEG 8000, 15 mM magnesium sulfate, and 50 mM MES adjusted at pH 6.0
|
Resolution 2.73 Å R-free 0.257 |
| 7SLR HIV Reverse Transcriptase with compound Pyr01 Deposited 2021-10-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | 9QI 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；295 K；950 mM sodium malonate pH 7.0,
100 mM HEPES/NaOH pH 6.8
|
Resolution 2.18 Å R-free 0.232 |
| 7SLS HIV Reverse Transcriptase with compound Pyr02 Deposited 2021-10-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1147（560 aa）
|
Not recorded | 9PJ 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；295 K；950 mM sodium malonate pH 7.0, 100 mM HEPES/NaOH pH 6.8
|
Resolution 2.08 Å R-free 0.259 |
| 8FCC HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI Deposited 2022-12-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | YO9 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile × 1 TLA L(+)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.9 M K/Na tartrate
100mM MES pH 6.0
|
Resolution 2.57 Å R-free 0.257 |
| 8FCD HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI Deposited 2022-12-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | ZJ2 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile × 1 TLA L(+)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.9M K/Na tartrate
100mM MEX pH 6.0
|
Resolution 2.57 Å R-free 0.231 |
| 8FCE HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI Deposited 2022-12-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Not recorded | XRL 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile × 1 TLA L(+)-TARTARIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.9 K/Na tartrate
100mM MES pH 6.0
|
Resolution 2.77 Å R-free 0.262 |
| 9DM9 HIV-RT pre-catalytic complex with MK-8527 Deposited 2024-09-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric |
Chain A
588–1147（560 aa）
Chain B
588–1027（440 aa）
|
Mutation：Q258C,C280S Mutation：C280S | MG MAGNESIUM ION × 2 A1A6R 2-chloro-7-{(4xi)-2-deoxy-4-ethynyl-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；8% PEG 4000, 25 mM MES pH 7.0, and 5 mM MgSO4 at a 2:1 protein : precipitant ratio
|
Resolution 2.73 Å R-free 0.228 |
178 other PDB entries and 201 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | POL_HV1H2 |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–99； UniProt 57–155 Author chain B； PDBConstruct 1–99； UniProt 57–155 |
