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3lal

Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor

Method: X-RAY DIFFRACTION Dmax: 114.7 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

HIV Reverse transcriptase

Human immunodeficiency virus type 1

UniProt P04585

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 588–1147 Chain B； UniProt 588–1147 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

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 3LAL 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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Mutation：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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Mutation：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 construct Different mutation/modification 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 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 construct Different mutation/modification 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 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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Mutation：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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Mutation：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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 experimental conditions 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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Not recorded 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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Not recorded 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 construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Not recorded 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 experimental conditions 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 experimental conditions 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 experimental conditions 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 construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Not recorded 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 construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 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 construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
Not recorded 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
1QBU HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY Deposited 1997-04-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 57–155（99 aa）
Chain B 57–155（99 aa）
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 conditions Resolution 1.80 Å
1REV HIV-1 REVERSE TRANSCRIPTASE Deposited 1995-09-17 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) 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 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) 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 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) 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 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) 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 experimental conditions 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 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
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 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
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 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
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 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
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 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) 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 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) 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 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) 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 experimental conditions 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 experimental conditions 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 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
3LAM Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor Deposited 2010-01-06 Different ligand/ion 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 ligand/ion 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 experimental conditions 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 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 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 1–560； UniProt 588–1147 Author chain B； PDBConstruct 1–560； UniProt 588–1147

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3lal

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3lal
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3lal
Deposition date deposition_date2010-01-06
Structure title titleCrystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor
Keywords keywordsHIV, RT, NNRTI, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier35.20 Å
Radius of gyration Rg (electron density) rg_electron34.33 Å
Forward intensity I(0) i0175341000.00
Molecular weight molecular_weight111610.0 kDa
Excluded volume excluded_volume141910 ų
Envelope volume envelope_volume188150 ų
Hydration-shell volume shell_volume45448 ų
Envelope diameter envelope_diameter116.2 Å
Shell Rg shell_rg41.33 Å
Envelope Rg envelope_rg33.83 Å
Shape Rg shape_rg34.27 Å
Total Rg total_rg35.08 Å
Total atoms total_atoms7891
Residues n_residues956
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax114.7 Å
Rg (real space) rg_real35.12 Å
Rg uncertainty (real space) rg_real_error0.85 Å
I(0) (real space) i0_real1.7530e+08
I(0) uncertainty (real space) i0_real_error2.9850e+06
Rg (reciprocal space) rg_reciprocal35.17 Å
I(0) (reciprocal space) i0_reciprocal175300000.0000
Solution quality estimate total_estimate0.8284
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary43.3 Å
Skewness Skewness skewness0.210
Kurtosis Kurtosis kurtosis-0.509
Angular range angular_range— – 0.2250 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha24410000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.922; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 11 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd3lala1
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.8 — DNA/RNA polymerases
Superfamily Superfamily superfamilye.8.1 — DNA/RNA polymerases
Family Family familye.8.1.2 — Reverse transcriptase
Domain ID domain_idd3lala2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.3 — Ribonuclease H-like
Family Family familyc.55.3.1 — Ribonuclease H

CATH v4.4 (9 domains)

Domain ID domain_id3lalA01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology10 — HIV Type 1 Reverse Transcriptase; Chain A, domain 1
Homologous superfamily homologous superfamily10 — HIV Type 1 Reverse Transcriptase, subunit A, domain 1
Domain ID domain_id3lalA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
Domain ID domain_id3lalA03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
Domain ID domain_id3lalA04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
Domain ID domain_id3lalA05
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id3lalB01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology10 — HIV Type 1 Reverse Transcriptase; Chain A, domain 1
Homologous superfamily homologous superfamily10 — HIV Type 1 Reverse Transcriptase, subunit A, domain 1
Domain ID domain_id3lalB02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
Domain ID domain_id3lalB03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
Domain ID domain_id3lalB04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily270 — Reverse transcriptase/Diguanylate cyclase domain
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8. Citations (1)

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9. Files and Curves (10)