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3avm

Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site

Method: X-RAY DIFFRACTION Dmax: 61.6 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Integrase

Human immunodeficiency virus type 1

UniProt P12497

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 1197–1359 Chain B； UniProt 1197–1359 Fragment：CCD domain (UNP RESIDUES 1197-1359) Mutation：C56S, F139D, F185H LEDGF peptide × 2 SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 4 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K Resolution 1.88 Å R-free 0.197

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 3AVM Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1A43 STRUCTURE OF THE HIV-1 CAPSID PROTEIN DIMERIZATION DOMAIN AT 2.6A RESOLUTION Deposited 1998-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 277–362（86 aa） Fragment：C-TERMINAL DOMAIN OF HIV-1 CAPSID PROTEIN RESIDUES 146-231 (CAPSID NUMBERING)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；pH 5.0
Resolution 2.60 Å R-free 0.281
1A8O HIV CAPSID C-TERMINAL DOMAIN Deposited 1998-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 283–351（69 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 151 - 231
Mutation：SELENOMETHIONINE SUBSTITUTIONS, L151MSE, M185MSE, M214MSE, M215MSE Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；CRYSTALS OF CA(151-231) WERE GROWN AT 4C IN 4 MICROLITER SITTING DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN SOLUTION (2.1 MM CA(151-231) IN 10MM TRIS (PH 8.0) AND 2 MM 2-MERCAPTOETHANOL) AND RESERVOIR SOLUTION (2.0 M AMMONIUM SULFATE), vapor diffusion - sitting drop, temperature 277K
Resolution 1.70 Å R-free 0.253
1AFV HIV-1 CAPSID PROTEIN (P24) COMPLEX WITH FAB25.3 Deposited 1997-03-14 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 132–282（151 aa） Fragment：AMINO-TERMINAL DOMAIN RESIDUES 1 - 151
Chain B 132–282（151 aa） Fragment：AMINO-TERMINAL DOMAIN RESIDUES 1 - 151
Not recorded PB LEAD (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；16% PEG 3350, 50 MM BISTRIS-HCL, PH 7.0, 0.1% BETA-OCTYLGLUCOSIDE, 1 MM NAN3
Resolution 3.70 Å R-free 0.324
1AK4 HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID Deposited 1997-05-28 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 D 132–276（145 aa） Fragment：N-TERMINAL DOMAIN
Mutation：DELETION MUTANT DEL(152-231) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；THE PROTEIN SOLUTION WAS 0.25 MM CYPA AND 0.25 MM CA(151) IN 10 MM TRISHCL (PH 8.0) AND 1 MM 2-MERCAPTOETHANOL. THE RESERVOIR SOLUTION WAS 1ML OF 1.0 M LICL, 0.1 M BICINE (PH 7.0), AND 22% POLYETHYLENE GLYCOL 8000. THE INITIAL DROP WAS 6 MICROL OF A 1:1 MIX OF PROTEIN AND RESERVOIR SOLUTIONS.
Resolution 2.36 Å R-free 0.306
1AK4 HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID Deposited 1997-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 132–276（145 aa） Fragment：N-TERMINAL DOMAIN
Mutation：DELETION MUTANT DEL(152-231) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；THE PROTEIN SOLUTION WAS 0.25 MM CYPA AND 0.25 MM CA(151) IN 10 MM TRISHCL (PH 8.0) AND 1 MM 2-MERCAPTOETHANOL. THE RESERVOIR SOLUTION WAS 1ML OF 1.0 M LICL, 0.1 M BICINE (PH 7.0), AND 22% POLYETHYLENE GLYCOL 8000. THE INITIAL DROP WAS 6 MICROL OF A 1:1 MIX OF PROTEIN AND RESERVOIR SOLUTIONS.
Resolution 2.36 Å R-free 0.306
1AUM HIV CAPSID C-TERMINAL DOMAIN (CAC146) Deposited 1997-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 282–351（70 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 146 - 231
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；CRYSTALS OF CAC(146-231) WERE GROWN AT 4C IN 8 MICROLITER SITTING DROPS CONTAINING A 1:1 MIXTURE OF PROTEIN SOLUTION (2.1 MM CA(151-231) IN 10 MM TRIS (PH 8.0) AND 2 MM 2-MERCAPTOETHANOL) AND RESERVOIR SOLUTION (2.0 M AMMONIUM SULFATE), vapor diffusion - sitting drop
Resolution 3.00 Å
1B92 MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-19 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 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K, G149A CAC CACODYLATE ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.02 Å R-free 0.289
1B92 MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K, G149A CAC CACODYLATE ION × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.02 Å R-free 0.289
1B9D MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-11 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 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K CAC CACODYLATE ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.70 Å R-free 0.278
1B9D MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K CAC CACODYLATE ION × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.70 Å R-free 0.278
1B9F MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-11 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 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K, G140A, G149A CAC CACODYLATE ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.70 Å R-free 0.280
1B9F MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY Deposited 1999-02-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN
Mutation：F185K, G140A, G149A CAC CACODYLATE ION × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.70 Å R-free 0.280
1BAJ HIV-1 CAPSID PROTEIN C-TERMINAL FRAGMENT PLUS GAG P2 DOMAIN Deposited 1998-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 275–376（102 aa） Fragment：C-TERMINAL DOMAIN OF HIV-1 CAPSID PROTEIN (RESIDUES 146-229 CAPSID NUMBERING) FOLLOWED BY THE 14 AMINO ACID P2 DOMAIN OF GAG
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；pH 5.0
Resolution 2.60 Å R-free 0.275
1BHL CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE Deposited 1998-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 772–922（151 aa） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 50 - 212
Mutation：F185H Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；3-9% PEG 8000, 0.4M AMMONIUM SULFATE, 0.1M SODIUM CACODYLATE PH 6.5
Resolution 2.20 Å R-free 0.264
1BI4 CATALYTIC DOMAIN OF HIV-1 INTEGRASE Deposited 1998-06-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1196–1355（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Chain B 1196–1355（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Chain C 1196–1355（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Mutation：F185H Mutation：F185H Mutation：F185H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；435 MM SODIUM CITRATE, 50 MM HEPES-HCL, PH 7.5, 7.5 MM DTT, PROTEIN CONCENTRATION, 0.13 MM
Resolution 2.50 Å R-free 0.271
1BIS HIV-1 INTEGRASE CORE DOMAIN Deposited 1998-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 762–924（163 aa） Fragment：CORE DOMAIN
Chain B 762–924（163 aa） Fragment：CORE DOMAIN
Mutation：W131E, F185K Mutation：W131E, F185K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 30% PEG 4000, 100 MM HEPES, PH 7.0, 5 MM DTT
Resolution 1.95 Å R-free 0.256
1BIU HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++ Deposited 1998-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 762–927（166 aa） Fragment：CORE DOMAIN
Chain B 762–927（166 aa） Fragment：CORE DOMAIN
Mutation：W131E, F185K Mutation：W131E, F185K MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 30% PEG 4000, 100 MM HEPES, PH 7.0, 5 MM DTT, 5 MM MGCL2
Resolution 2.50 Å R-free 0.265
1BIU HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++ Deposited 1998-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 762–927（166 aa） Fragment：CORE DOMAIN
Mutation：W131E, F185K MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 30% PEG 4000, 100 MM HEPES, PH 7.0, 5 MM DTT, 5 MM MGCL2
Resolution 2.50 Å R-free 0.265
1BL3 CATALYTIC DOMAIN OF HIV-1 INTEGRASE Deposited 1998-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 765–924（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Chain B 765–924（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Chain C 765–924（160 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Mutation：F185H Mutation：F185H Mutation：F185H MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；435MM SODIUM CITRATE, 50MM HEPES-HCL PH 7.5, 7.5MM DTT, [PROTEIN]=0.13MM
Resolution 2.00 Å R-free 0.279
1ITG CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES Deposited 1994-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 762–927（166 aa）
Not recorded CAC CACODYLATE ION × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1WJB SOLUTION STRUCTURE OF THE N-TERMINAL ZN BINDING DOMAIN OF HIV-1 INTEGRASE (D FORM), NMR, 40 STRUCTURES Deposited 1997-05-13 Different construct Different mutation/modification Different oligomeric state 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 716–770（55 aa）
Chain B 716–770（55 aa）
Not recorded ZN ZINC ION × 2 SOLUTION NMR
NMR measurement conditions pH 7.4；293 K
Resolution not provided
1WJD SOLUTION STRUCTURE OF THE N-TERMINAL ZN BINDING DOMAIN OF HIV-1 INTEGRASE (E FORM), NMR, 38 STRUCTURES Deposited 1997-05-13 Different construct Different mutation/modification Different oligomeric state 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 716–770（55 aa）
Chain B 716–770（55 aa）
Not recorded ZN ZINC ION × 2 SOLUTION NMR
NMR measurement conditions pH 7.4；293 K
Resolution not provided
20XX HIV-1 integrase core domain in complex with potent allosteric inhibitors Deposited 2025-12-02 Different construct Different mutation/modification Different oligomeric state 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）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1MCX (2~{S})-2-[(3~{a}~{R},7~{a}~{R})-1'-ethyl-5'-methyl-spiro[1,3,3~{a},4,5,6,7,7~{a}-octahydroindene-2,3'-indene]-4'-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 1PE PENTAETHYLENE GLYCOL × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M sodium cacodylate, 0.2 M ammonium sulfate, 20% (w/v) PEG8000, 25% (w/v) PEG 200 and 5 mM DTT solution and flash-frozen in liquid nitrogen.
Resolution 2.20 Å R-free 0.251
2B4J Structural basis for the recognition between HIV-1 integrase and LEDGF/p75 Deposited 2005-09-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 765–927（163 aa） Fragment：HIV-1 integrase
Chain B 765–927（163 aa） Fragment：HIV-1 integrase
Mutation：F185K Mutation：F185K PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.25；295 K；PEG-3350, Na2HPO4, NaH2PO4, KH2PO4, NACL, HEPES, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.02 Å R-free 0.226
2B4J Structural basis for the recognition between HIV-1 integrase and LEDGF/p75 Deposited 2005-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 765–927（163 aa） Fragment：HIV-1 integrase
Chain B 765–927（163 aa） Fragment：HIV-1 integrase
Mutation：F185K Mutation：F185K PO4 PHOSPHATE ION × 4 GOL GLYCEROL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.25；295 K；PEG-3350, Na2HPO4, NaH2PO4, KH2PO4, NACL, HEPES, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.02 Å R-free 0.226
2GOL Xray Structure of Gag278 Deposited 2006-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–131（131 aa） Fragment：residues 1-131
Chain B 132–277（146 aa） Fragment：N-terminal Domain (residues 132-277)
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；294 K；28% PEG 8000, 0.2 M (NH4)2SO4, 0.1 M sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.20 Å R-free 0.258
2GOL Xray Structure of Gag278 Deposited 2006-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 132–277（146 aa） Fragment：N-terminal Domain (residues 132-277)
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；294 K；28% PEG 8000, 0.2 M (NH4)2SO4, 0.1 M sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.20 Å R-free 0.258
2GON Xray Structure of Gag133-278 Deposited 2006-04-13 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 132–277（146 aa） Fragment：N-terminal Domain (residues 133-278)
Mutation：A224E Non-standard monomer：Yes (specific site not provided by mmCIF) FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；286 K；0.2 M BiAmmonium Citrate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.90 Å R-free 0.257
2GON Xray Structure of Gag133-278 Deposited 2006-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 132–277（146 aa） Fragment：N-terminal Domain (residues 133-278)
Mutation：A224E Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；286 K；0.2 M BiAmmonium Citrate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.90 Å R-free 0.257
2GON Xray Structure of Gag133-278 Deposited 2006-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 132–277（146 aa） Fragment：N-terminal Domain (residues 133-278)
Mutation：A224E Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；286 K；0.2 M BiAmmonium Citrate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.90 Å R-free 0.257
2GON Xray Structure of Gag133-278 Deposited 2006-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 132–277（146 aa） Fragment：N-terminal Domain (residues 133-278)
Mutation：A224E Non-standard monomer：Yes (specific site not provided by mmCIF) FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；286 K；0.2 M BiAmmonium Citrate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.90 Å R-free 0.257
2H3F Solution structure of the HIV-1 MA protein Deposited 2006-05-22 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） Fragment：residues 2-132
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 50mM phosphate buffer, 5mM DTT, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2H3I Solution structure of the HIV-1 myristoylated Matrix protein Deposited 2006-05-22 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） Fragment：residues 2-132
Not recorded MYR MYRISTIC ACID × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 50mM phosphate buffer, 5mM DTT, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2H3Q Solution structure of HIV-1 myrMA bound to di-C4-phosphatidylinositol-(4,5)-bisphosphate Deposited 2006-05-22 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） Fragment：residues 2-132
Not recorded MYR MYRISTIC ACID × 1 PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 50mM phosphate buffer, 5mM DTT, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2H3V Structure of the HIV-1 Matrix protein bound to di-C8-phosphatidylinositol-(4,5)-bisphosphate Deposited 2006-05-23 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） Fragment：residues 2-132
Not recorded PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 50mM phosphate buffer, 5mM DTT, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2H3Z Structure of the HIV-1 matrix protein bound to di-C4-phosphatidylinositol-(4,5)-bisphosphate Deposited 2006-05-23 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） Fragment：residues 2-132
Not recorded PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Pressure ambient
NMR sample composition 50mM phosphate buffer, 5mM DTT, 10% H2O, 10% D2O | 10% H2O + 10% D2O
Resolution not provided
2HMX HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 MATRIX PROTEIN Deposited 1995-09-22 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
2HVP THREE-DIMENSIONAL STRUCTURE OF ASPARTYL PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS HIV-1 Deposited 1989-04-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–122（99 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å
2ITG CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT Deposited 1996-09-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 765–927（163 aa） Fragment：CATALYTIC CORE DOMAIN 50 - 212
Mutation：F185H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；3-9% PEG 8000, 0.4M AMMONIUM SULFATE, 0.1M SODIUM CACODYLATE PH 6.5
Resolution 2.60 Å
2JPR Joint refinement of the HIV-1 CA-NTD in complex with the assembly inhibitor CAP-1 Deposited 2007-05-22 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 133–277（145 aa） Fragment：sequence database residues, 133-277
Not recorded JPR 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea × 1 SOLUTION NMR
NMR measurement conditions pH 7；308 K；Ionic strength (raw mmCIF value) 25；Pressure ambient
NMR sample composition 100-700 uM [U-15N] sodium phosphate, 100% D2O | 100% D2O
Resolution not provided
2JYG Solution Structure of the W184A/M185A Mutant of the Carboxy-terminal Dimerization Domain of the HIV-1 Capsid Protein Deposited 2007-12-13 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 280–363（84 aa） Fragment：residues 280-363
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5；303 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 1 mM [U-98% 13C; U-98% 15N] Protein, 1 mM [U-98% 15N] Protein, 1 mM [U-95% 13C] Protein, 90% v/v H2O, 10% mM [U-100% 2H] D2O, 50 mM sodium phosphate, 90%H2o/10%D2O | 90% H2O/10% D2O
Resolution not provided
2JYL Solution Structure of A Double Mutant of The Carboxy-terminal Dimerization Domain of The HIV-1 Capsid Protein Deposited 2007-12-14 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 280–363（84 aa）
Mutation：W184A, M185A No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5；303 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-98% 15N] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-95% 13C] Protein, 50 mM sodium phosphate, 90%H2o/10%D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-98% 13C; U-98% 15N] Protein, 50 mM sodium phosphate, 100%D2O | 100% D2O
NMR sample composition 1 mM [U-98% 15N] Protein, 50 mM sodium phosphate, 100%D2O | 100% D2O
NMR sample composition 1 mM [U-95% 13C] Protein, 50 mM sodium phosphate, 100%D2O | 100% D2O
Resolution not provided
2LYA Structure of HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidylcholine Deposited 2012-09-14 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 2–132（131 aa）
Not recorded PC8 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition 0.4 mM [U-95% 13C] MA, 0.8-1.0 mM 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 50 mM sodium phosphate, 2 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.4-1.0 mM [U-95% 13C; U-95% 15N] MA, 0.8-1.0 mM 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 50 mM sodium phosphate, 2 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2LYB Structure of HIV-1 myr(-) matrix protein in complex with 1,2-dioctanoyl-sn-phosphatidyl-L-serine Deposited 2012-09-14 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 2–132（131 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 1 SOLUTION NMR
NMR measurement conditions pH 5.5；308 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition 0.4 mM [U-95% 13C] MA, 0.8-1.0 mM 1,2-dioctanoyl-sn-glycero-3-phospho-L-serine, sodium salt, 50 mM sodium phosphate, 2 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.4-1.0 mM [U-95% 13C; U-95% 15N] MA, 0.8-1.0 mM 1,2-dioctanoyl-sn-glycero-3-phospho-L-serine, sodium salt, 50 mM sodium phosphate, 2 mM DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M3Z NMR solution structure of HIV-1 nucleocapsid protein in complex with an inhibitor displaying a 2 inhibitors:1 NC stoichiometry Deposited 2013-01-28 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 378–432（55 aa）
Not recorded ZN ZINC ION × 2 1HF (3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid × 2 SOLUTION NMR
NMR measurement conditions pH 6.5；300 K；Ionic strength (raw mmCIF value) 0.025；Pressure ambient
NMR sample composition 250 uM [U-100% 13C; U-100% 15N] protein, 500 uM inhibitor, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2M8L HIV capsid dimer structure Deposited 2013-05-23 Different construct Different mutation/modification Different oligomeric state 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 133–363（231 aa）
Chain B 133–363（231 aa）
Not recorded No recorded non-water small molecule Experimental method not declared
NMR measurement conditions pH 6.5；308 K；Pressure ambient
NMR sample composition 0.5 mM [U-13C; U-15N; U-2H] entity, 1 mM EDTA, 50 mM sodium chloride, 1 mM DTT, 20 mM sodium phosphate, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2M8N HIV-1 capsid monomer structure Deposited 2013-05-24 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 133–363（231 aa）
Not recorded No recorded non-water small molecule Experimental method not declared
NMR measurement conditions pH 6.5；308 K；Pressure ambient
NMR sample composition 0.5 mM [U-13C; U-15N; U-2H] entity, 1 mM EDTA, 50 mM sodium chloride, 1 mM DTT, 20 mM sodium phosphate, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2M8P The structure of the W184AM185A mutant of the HIV-1 capsid protein Deposited 2013-05-24 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 133–363（231 aa）
Mutation：W184A, M185A No recorded non-water small molecule Experimental method not declared
NMR measurement conditions pH 6.5；308 K；Pressure ambient
NMR sample composition 0.5 mM [U-13C; U-15N; U-2H] entity, 1 mM EDTA, 50 mM sodium chloride, 1 mM DTT, 20 mM sodium phosphate, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2ONT A swapped dimer of the HIV-1 capsid C-terminal domain Deposited 2007-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 277–352（76 aa） Fragment：capsid C-terminal domain, residues 278-353
Mutation：deletion of Ala177 No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.75；277 K；Reservoir: 0.1 M Sodium phosphate pH 6.75, 28% v/v PEG 1500, 15% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.294
2PWM Crystal Structure of HIV-1 CA146 A92E real cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 133–278（146 aa） Fragment：N-Terminal Domain
Chain B 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, and 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.90 Å R-free 0.270
2PWM Crystal Structure of HIV-1 CA146 A92E real cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 133–278（146 aa） Fragment：N-Terminal Domain
Chain D 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, and 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.90 Å R-free 0.270
2PWM Crystal Structure of HIV-1 CA146 A92E real cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 133–278（146 aa） Fragment：N-Terminal Domain
Chain F 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, and 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.90 Å R-free 0.270
2PWM Crystal Structure of HIV-1 CA146 A92E real cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 133–278（146 aa） Fragment：N-Terminal Domain
Chain H 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, and 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.90 Å R-free 0.270
2PWO Crystal Structure of HIV-1 CA146 A92E Psuedo Cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 133–278（146 aa） Fragment：N-Terminal Domain
Chain B 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.45 Å R-free 0.216
2PWO Crystal Structure of HIV-1 CA146 A92E Psuedo Cell Deposited 2007-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 133–278（146 aa） Fragment：N-Terminal Domain
Chain D 133–278（146 aa） Fragment：N-Terminal Domain
Mutation：A92E Mutation：A92E CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；294 K；24% PEG 4500, 0.60 M MgCl2, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.45 Å R-free 0.216
2PXR Crystal Structure of HIV-1 CA146 in the Presence of CAP-1 Deposited 2007-05-14 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 C 133–278（146 aa） Fragment：N-Terminal Domain
Not recorded CL CHLORIDE ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286 K；100 mM Tris pH, 5% PEG 8000, 20% PEG 300, 10% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.50 Å R-free 0.221
2PXR Crystal Structure of HIV-1 CA146 in the Presence of CAP-1 Deposited 2007-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 133–278（146 aa） Fragment：N-Terminal Domain
Not recorded CL CHLORIDE ION × 2 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286 K；100 mM Tris pH, 5% PEG 8000, 20% PEG 300, 10% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.50 Å R-free 0.221
2PXR Crystal Structure of HIV-1 CA146 in the Presence of CAP-1 Deposited 2007-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 133–278（146 aa） Fragment：N-Terminal Domain
Not recorded CL CHLORIDE ION × 2 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286 K；100 mM Tris pH, 5% PEG 8000, 20% PEG 300, 10% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.50 Å R-free 0.221
2XV6 Crystal structure of the HIV-1 capsid protein C-terminal domain (146- 220) in complex with a camelid VHH. Deposited 2010-10-22 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 C 278–352（75 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-352
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 30% PEG 4000
Resolution 1.89 Å R-free 0.195
2XV6 Crystal structure of the HIV-1 capsid protein C-terminal domain (146- 220) in complex with a camelid VHH. Deposited 2010-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 278–352（75 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-352
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 30% PEG 4000
Resolution 1.89 Å R-free 0.195
2XXM Crystal structure of the HIV-1 capsid protein C-terminal domain in complex with a camelid VHH and the CAI peptide. Deposited 2010-11-10 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 278–352（75 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-352
Not recorded ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 30% PEG4000, 200MM AMMONIUM ACETATE, 100MM SODIUM ACETATE PH 4.6
Resolution 1.65 Å R-free 0.217
3AV9 Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-02 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 ACY ACETIC ACID × 4 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.202
3AVA Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-02 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 1 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.200
3AVB Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 3 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.85 Å R-free 0.194
3AVC Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-02 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.77 Å R-free 0.196
3AVF Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1356（160 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1356（160 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.199
3AVG Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.203
3AVH Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.88 Å R-free 0.200
3AVI Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 1 ACY ACETIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.194
3AVJ Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.198
3AVK Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 ACY ACETIC ACID × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP
Resolution 1.75 Å R-free 0.199
3AVL Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.88 Å R-free 0.194
3AVN Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site Deposited 2011-03-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Chain B 1197–1359（163 aa） Fragment：CCD domain (UNP RESIDUES 1197-1359)
Mutation：C56S, F139D, F185H Mutation：C56S, F139D, F185H SO4 SULFATE ION × 8 CL CHLORIDE ION × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K
Resolution 2.10 Å R-free 0.205
3DIK Pseudo-atomic model of the HIV-1 CA hexameric lattice Deposited 2008-06-20 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 133–351（219 aa）
Not recorded No recorded non-water small molecule ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer 17.5%(w/v) PEG 20,000, 50mM Na Cacodylate, 100mM Calcium Acetate；pH 6.5；17.5%(w/v) PEG 20,000, 50mM Na Cacodylate, 100mM Calcium Acetate
cryo-EM vitrification conditions Cryogen ETHANE；Washed with 0.1M KCl, blotted briefly, and plunged into liquid ethane
Resolution 9.00 Å
3H47 X-ray Structure of Hexameric HIV-1 CA Deposited 2009-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–363（231 aa） Fragment：UNP residues 133-363
Mutation：A14C,E45C,W184A,M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；10-12% PEG 8,000, 100 mM sodium malonate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.90 Å R-free 0.270
3H4E X-ray Structure of Hexameric HIV-1 CA Deposited 2009-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–363（231 aa） Fragment：UNP residues 133-363
Chain B 133–363（231 aa） Fragment：UNP residues 133-363
Chain C 133–363（231 aa） Fragment：UNP residues 133-363
Chain D 133–363（231 aa） Fragment：UNP residues 133-363
Chain E 133–363（231 aa） Fragment：UNP residues 133-363
Chain F 133–363（231 aa） Fragment：UNP residues 133-363
Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10-12% PEG 8,000, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.263
3H4E X-ray Structure of Hexameric HIV-1 CA Deposited 2009-04-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 133–363（231 aa） Fragment：UNP residues 133-363
Chain H 133–363（231 aa） Fragment：UNP residues 133-363
Chain I 133–363（231 aa） Fragment：UNP residues 133-363
Chain J 133–363（231 aa） Fragment：UNP residues 133-363
Chain K 133–363（231 aa） Fragment：UNP residues 133-363
Chain L 133–363（231 aa） Fragment：UNP residues 133-363
Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A Mutation：A14C,E45C,W184A,M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10-12% PEG 8,000, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.263
3MGE X-ray Structure of Hexameric HIV-1 CA Deposited 2010-04-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–363（231 aa） Fragment：UNP residues 133-363
Mutation：A42C, T54C, W184A, M185A EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10% PEG 8,000 2% Tacsimate 100 mM Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.90 Å R-free 0.255
3WNE Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase Deposited 2013-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Chain B 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H CD CADMIUM ION × 4 CL CHLORIDE ION × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；1.8M AMMONIUM SULFATE, 0.15M SODIUM CITRATE, 5mM CADMIUM CHLORIDE , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.228
3WNF Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase Deposited 2013-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Chain B 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H CD CADMIUM ION × 4 CL CHLORIDE ION × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；1.8M AMMONIUM SULFATE, 0.15M SODIUM CITRATE, 5MM CADMIUM CHLORIDE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.45 Å R-free 0.232
3WNG Cyclic hexapeptide PKIDNp in complex with HIV-1 integrase Deposited 2013-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Chain B 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H CD CADMIUM ION × 4 CL CHLORIDE ION × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；1.8M Ammonium Sulfate, 0.15M Sodium Citrate, 5MM Cadmium Chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.222
3WNH Cyclic hexapeptide PKZDNv in complex with HIV-1 integrase Deposited 2013-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Chain B 1203–1359（157 aa） Fragment：Catalytic core domain, UNP residue 1203-1359
Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H Mutation：C56S, S123G, T124A, K127R, W131D, F139D, F185H CD CADMIUM ION × 4 CL CHLORIDE ION × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；1.8M Ammonium Sulfate, 0.15M Sodium Citrate, 5MM Cadmium Chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.227
4AH9 Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-06 Different construct Different mutation/modification Different oligomeric state 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） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Mutation：YES Mutation：YES 0MB 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE × 2 SO4 SULFATE ION × 10 EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 4 GOL GLYCEROL × 2 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；100 MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 M TO 1.5 M AMMONIUM SULFATE. THE PROTEIN WAS IN 40 MM TRIS PH 8.0, 250 MM NACL, 30 MM MGCL2, 5 MM DTT. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.70 Å R-free 0.209
4AHR Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-07 Different construct Different mutation/modification Different oligomeric state 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） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Mutation：YES Mutation：YES SO4 SULFATE ION × 8 ACY ACETIC ACID × 3 GOL GLYCEROL × 2 I2E 3-(1,3-benzodioxol-5-yl)propanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PROTEIN: 5.5MG/ML IN 40MM TRIS BUFFER AT PH 8.0, 250MM NACL, 30MM MGCL2, 5MM DTT. CRYSTALLANT: 100MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 TO 1.5M AMMONIUM SULFATE AT 20C IN SITTING DROP PLATES. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.90 Å R-free 0.234
4AHS Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-07 Different construct Different mutation/modification Different oligomeric state 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） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：CATALYTIC CORE DOMAIN, RESIDUES 1197-1359
Mutation：YES Mutation：YES SO4 SULFATE ION × 4 ACT ACETATE ION × 5 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 AKH 1-BENZOFURAN-7-CARBOXYLIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PROTEIN: 5.5MG/ML IN 40MM TRIS BUFFER AT PH 8.0, 250MM NACL, 30MM MGCL2, 5MM DTT. CRYSTALLANT: 100MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 TO 1.5M AMMONIUM SULFATE AT 20C IN SITTING DROP PLATES. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.75 Å R-free 0.248
4AHT Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-07 Different construct Different mutation/modification Different oligomeric state 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） Fragment：INTEGRASE, RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：INTEGRASE, RESIDUES 1197-1359
Mutation：YES Mutation：YES SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 3 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 2 Q6T 1,3-benzodioxole-4-carboxylic acid × 2 ACY ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PROTEIN: 5.5MG/ML IN 40MM TRIS BUFFER AT PH 8.0, 250MM NACL, 30MM MGCL2, 5MM DTT. CRYSTALLANT: 100MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 TO 1.5M AMMONIUM SULFATE AT 20C IN SITTING DROP PLATES. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.80 Å R-free 0.198
4AHU Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-07 Different construct Different mutation/modification Different oligomeric state 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） Fragment：INTEGRASE RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：INTEGRASE RESIDUES 1197-1359
Mutation：YES Mutation：YES SO4 SULFATE ION × 6 CL CHLORIDE ION × 2 GOL GLYCEROL × 4 ICO 1H-INDOLE-3-CARBOXYLIC ACID × 2 ACY ACETIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PROTEIN: 5.5MG/ML IN 40MM TRIS BUFFER AT PH 8.0, 250MM NACL, 30MM MGCL2, 5MM DTT. CRYSTALLANT: 100MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 TO 1.5M AMMONIUM SULFATE AT 20C IN SITTING DROP PLATES. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.90 Å R-free 0.198
4AHV Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification Deposited 2012-02-07 Different construct Different mutation/modification Different oligomeric state 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） Fragment：CATALYTIC DOMAIN, RESIDUES 1197-1359
Chain B 1197–1359（163 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 1197-1359
Mutation：YES Mutation：YES SO4 SULFATE ION × 6 ACY ACETIC ACID × 2 EDO 1,2-ETHANEDIOL × 5 TAM TRIS(HYDROXYETHYL)AMINOMETHANE × 2 Z5P 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PROTEIN: 5.5MG/ML IN 40 MM TRIS BUFFER AT PH 8.0, 250 MM NACL, 30 MM MGCL2, 5MM DTT. CRYSTALLANT: 100 MM SODIUM ACETATE PH 5.0 TO 5.5, 1.2 TO 1.5 M AMMONIUM SULFATE AT 20C IN SITTING DROP PLATES. FRAGMENTS WERE SOAKED INTO PREFORMED CRYSTALS 24-48 HOURS PRIOR TO DATA COLLECTION.
Resolution 1.80 Å R-free 0.224
4COC HIV-1 capsid C-terminal domain mutant (Y169L) Deposited 2014-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Mutation：YES SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；30% PEG 4000, 0.2 M LISO4, 0.1 M TRIS PH 8.5
Resolution 1.59 Å R-free 0.223
4COC HIV-1 capsid C-terminal domain mutant (Y169L) Deposited 2014-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；30% PEG 4000, 0.2 M LISO4, 0.1 M TRIS PH 8.5
Resolution 1.59 Å R-free 0.223
4COC HIV-1 capsid C-terminal domain mutant (Y169L) Deposited 2014-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Mutation：YES SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；30% PEG 4000, 0.2 M LISO4, 0.1 M TRIS PH 8.5
Resolution 1.59 Å R-free 0.223
4COP HIV-1 capsid C-terminal domain mutant (Y169S) Deposited 2014-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Chain B 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Mutation：YES Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 10.5；1.2 M NAH2PO4, 0.8 M K2HPO4, 0.1 M CAPS PH 10.5 AND 0.2 M LISO4
Resolution 1.85 Å R-free 0.247
4DMN HIV-1 Integrase Catalytical Core Domain Deposited 2012-02-08 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 1197–1359（163 aa）
Not recorded ARS ARSENIC × 2 SO4 SULFATE ION × 2 0L9 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.5 K；10% PEG 8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulfate, Vapor Diffusion, hanging drop, temperature 277.5K
Resolution 2.45 Å R-free 0.276
4DMN HIV-1 Integrase Catalytical Core Domain Deposited 2012-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1197–1359（163 aa）
Not recorded ARS ARSENIC × 4 SO4 SULFATE ION × 4 0L9 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.5 K；10% PEG 8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulfate, Vapor Diffusion, hanging drop, temperature 277.5K
Resolution 2.45 Å R-free 0.276
4E1M Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor Deposited 2012-03-06 Different construct Different mutation/modification Different oligomeric state 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 Non-standard monomer：Yes (specific site not provided by mmCIF) TQ2 (2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；8% PEG 8000, 100mM NaCacodylate, 200mM ammonium sulfate, 5mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.273
4E1N Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor Deposited 2012-03-06 Different construct Different mutation/modification Different oligomeric state 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 Non-standard monomer：Yes (specific site not provided by mmCIF) TQX (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；8% PEG 8000, 100mM NaCacodylate, 200mM ammonium sulfate, 5mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.265
4GVM HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor Deposited 2012-08-30 Different construct Different mutation/modification Different oligomeric state 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） Fragment：UNP residues 1197-1359
Mutation：A128T ARS ARSENIC × 4 LF2 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M Na Cacodylate, pH 6.5, 1.4 M Na Acetate, Vapor Diffusion,hanging drop, temperature 293K
Resolution 2.16 Å R-free 0.249
4GW6 HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor Deposited 2012-08-31 Different construct Different mutation/modification Different oligomeric state 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） Fragment：UNP residues 1197-1359
Not recorded ARS ARSENIC × 4 LF2 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277.5 K；10% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate, Vapor Diffusion, hanging drop, temperature 277.5K
Resolution 2.65 Å R-free 0.238
4ID1 HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor Deposited 2012-12-11 Different construct Different mutation/modification Different oligomeric state 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 Non-standard monomer：Yes (specific site not provided by mmCIF) LF0 (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.5 K；10% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate, Vapor Diffusion,hanging drop, temperature 277.5K
Resolution 1.87 Å R-free 0.234
4IPY HIV capsid C-terminal domain Deposited 2013-01-10 Different construct Different mutation/modification 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 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Chain B 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Chain C 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Chain D 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；reservoir contained 0.2 M magnesium formate dihydrate (pH 7.0) and 20% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.64 Å R-free 0.218
4IPY HIV capsid C-terminal domain Deposited 2013-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Not recorded EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；reservoir contained 0.2 M magnesium formate dihydrate (pH 7.0) and 20% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.64 Å R-free 0.218
4IPY HIV capsid C-terminal domain Deposited 2013-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；reservoir contained 0.2 M magnesium formate dihydrate (pH 7.0) and 20% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.64 Å R-free 0.218
4IPY HIV capsid C-terminal domain Deposited 2013-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；reservoir contained 0.2 M magnesium formate dihydrate (pH 7.0) and 20% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.64 Å R-free 0.218
4IPY HIV capsid C-terminal domain Deposited 2013-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 278–363（86 aa） Fragment：C-TERMINAL DOMAIN, RESIDUES 278-363
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；reservoir contained 0.2 M magnesium formate dihydrate (pH 7.0) and 20% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.64 Å R-free 0.218
4JLH HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor Deposited 2013-03-12 Different construct Different mutation/modification Different oligomeric state 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：A128T, F185K Non-standard monomer：Yes (specific site not provided by mmCIF) 0L9 (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M Na Cacodylate, 1.4 M Na Acetate, pH 6.5, Vapor Diffusion, hanging drop, temperature 293K
Resolution 2.09 Å R-free 0.243
4JMU Crystal structure of HIV matrix residues 1-111 in complex with inhibitor Deposited 2013-03-14 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 1–111（111 aa） Fragment：UNP residues 1-111
Not recorded SO4 SULFATE ION × 1 1ML 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；22.5% PEG2000MME, 100mM NaOAc pH4.5, 100mM Ammonium sulfate, 7.5% DMSO , VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.257
4LQW Crystal structure of HIV-1 capsid N-terminal domain in complex with NUP358 cyclophilin Deposited 2013-07-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 133–278（146 aa） Fragment：UNP Residues 133-278
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；23 % v/v PEG 4000, 23 % glycerol, 8.5 % isopropanol, 85 mM HEPES pH 7.5, 20 mM spermine tetrahydrochloride, 100 mM glycine, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 1.95 Å R-free 0.246
4LQW Crystal structure of HIV-1 capsid N-terminal domain in complex with NUP358 cyclophilin Deposited 2013-07-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 133–278（146 aa） Fragment：UNP Residues 133-278
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；23 % v/v PEG 4000, 23 % glycerol, 8.5 % isopropanol, 85 mM HEPES pH 7.5, 20 mM spermine tetrahydrochloride, 100 mM glycine, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 1.95 Å R-free 0.246
4NX4 Re-refinement of CAP-1 HIV-CA complex Deposited 2013-12-08 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 C 133–278（146 aa） Fragment：HIV-1 CAPSID (UNP residues 133-278)
Not recorded CL CHLORIDE ION × 1 ZN ZINC ION × 2 JPR 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286 K；100 MM TRIS, 5% PEG 8000, 20% PEG 300, 10% GLYCEROL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.50 Å R-free 0.191
4O0J HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid Deposited 2013-12-13 Different construct Different mutation/modification Different oligomeric state 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）
Non-standard monomer：Yes (specific site not provided by mmCIF) LF8 (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.5 K；10% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate, Vapor Diffusion,hanging drop, temperature 277.5K
Resolution 2.05 Å R-free 0.232
4O55 HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid Deposited 2013-12-19 Different construct Different mutation/modification Different oligomeric state 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）
Non-standard monomer：Yes (specific site not provided by mmCIF) LF9 (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.5 K；10% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate, Vapor Diffusion,hanging drop, temperature 277.5K
Resolution 2.24 Å R-free 0.259
4O5B HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid Deposited 2013-12-19 Different construct Different mutation/modification Different oligomeric state 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：A128T Non-standard monomer：Yes (specific site not provided by mmCIF) LF9 (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；0.1 M Na Cacodylate, pH 6.5, 1.4 M Na Acetate, Vapor Diffusion,hanging drop, temperature 292K
Resolution 2.37 Å R-free 0.233
4PHV X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY Deposited 1991-10-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 24–122（99 aa）
Chain B 24–122（99 aa）
Not recorded VAC N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
4QNB Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor Deposited 2014-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–363（231 aa）
Mutation：A14C,E45C,W184A,M185A 1B0 N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10% PEG 8,000, 2% Tacsimate, 100 mM Tris, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.271
4WYM Structural basis of HIV-1 capsid recognition by CPSF6 Deposited 2014-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 133–363（231 aa）
Chain B 133–363（231 aa）
Chain C 133–363（231 aa）
Chain D 133–363（231 aa）
Chain E 133–363（231 aa）
Chain F 133–363（231 aa）
Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M sodium formate, ammonium acetate, tri-sodium citrate, sodium/potassium tartrate, sodium oxamate; 0.1 M sodium HEPES, MOPS; 30% glycerol, PEG 4000
Resolution 2.60 Å R-free 0.259
4WYM Structural basis of HIV-1 capsid recognition by CPSF6 Deposited 2014-11-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 11 PDB declaration: undecameric
Chain G 133–363（231 aa）
Chain H 133–363（231 aa）
Chain I 133–363（231 aa）
Chain J 133–363（231 aa）
Chain K 133–363（231 aa）
Chain L 133–363（231 aa）
Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M sodium formate, ammonium acetate, tri-sodium citrate, sodium/potassium tartrate, sodium oxamate; 0.1 M sodium HEPES, MOPS; 30% glycerol, PEG 4000
Resolution 2.60 Å R-free 0.259
5TEO Dimer of HIV-1 Gag CTD-SP1 fragment Deposited 2016-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 278–377（100 aa）
Chain B 278–377（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；290 K；20% PEG 3350, 0.1-0.2M dibasic ammonium phosphate
Resolution 2.05 Å R-free 0.244
5TEO Dimer of HIV-1 Gag CTD-SP1 fragment Deposited 2016-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 278–377（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；290 K；20% PEG 3350, 0.1-0.2M dibasic ammonium phosphate
Resolution 2.05 Å R-free 0.244
5TEO Dimer of HIV-1 Gag CTD-SP1 fragment Deposited 2016-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 278–377（100 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；290 K；20% PEG 3350, 0.1-0.2M dibasic ammonium phosphate
Resolution 2.05 Å R-free 0.244
6IK9 HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex Deposited 2018-10-15 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol
Resolution 2.44 Å R-free 0.225
6IK9 HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex Deposited 2018-10-15 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol
Resolution 2.44 Å R-free 0.225
6IKA HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex Deposited 2018-10-15 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol
Resolution 2.60 Å R-free 0.232
6IKA HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex Deposited 2018-10-15 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol
Resolution 2.60 Å R-free 0.232
6KDJ HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S 1RZ Lamivudine Triphosphate × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.51 Å R-free 0.230
6KDJ HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S 1RZ Lamivudine Triphosphate × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.51 Å R-free 0.230
6KDK HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex Deposited 2019-07-02 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.56 Å R-free 0.234
6KDK HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex Deposited 2019-07-02 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.56 Å R-free 0.234
6KDM HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:entecavir 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.32 Å R-free 0.223
6KDM HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:entecavir 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.32 Å R-free 0.223
6KDN HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex Deposited 2019-07-02 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S MG MAGNESIUM ION × 1 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.30 Å R-free 0.221
6KDN HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex Deposited 2019-07-02 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S MG MAGNESIUM ION × 1 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.30 Å R-free 0.221
6KDO HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S, C867S GOL GLYCEROL × 2 1RZ Lamivudine Triphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.57 Å R-free 0.230
6KDO HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex Deposited 2019-07-02 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S, C867S GOL GLYCEROL × 2 1RZ Lamivudine Triphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.57 Å R-free 0.230
6LMI Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid Deposited 2019-12-25 Different construct Different mutation/modification Different oligomeric state 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 Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 4 PGE TRIETHYLENE GLYCOL × 2 EJ9 (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.1M Sodium cacodylate pH6.5, 0.32M Ammonium sulfate, 9% PEG 8000, 5mM DTT
Resolution 2.50 Å R-free 0.244
6LMQ Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid Deposited 2019-12-26 Different construct Different mutation/modification Different oligomeric state 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 Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 4 PGE TRIETHYLENE GLYCOL × 2 940 (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.1M Sodium cacodylate pH6.5, 0.206M Ammonium sulfate, 1% PEG 8000, 5mM DTT
Resolution 2.10 Å R-free 0.239
7D83 Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid Deposited 2020-10-07 Different construct Different mutation/modification Different oligomeric state 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：F1332K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 6 GZ9 (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；0.1M Sodium cacodylate pH 6.5, 0.2M Ammonium sulfate, 1% PEG 8000, 5mM DTT
Resolution 2.43 Å R-free 0.278
7DBM HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex Deposited 2020-10-21 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C749S,C867S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.43 Å R-free 0.224
7DBM HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex Deposited 2020-10-21 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C749S,C867S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.43 Å R-free 0.224
7DBN HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex Deposited 2020-10-21 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: trimeric
Chain B 588–1015（428 aa）
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.67 Å R-free 0.225
7DBN HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex Deposited 2020-10-21 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: trimeric
Chain D 588–1015（428 aa）
Not recorded DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BIS-TRIS-HCL, DI-AMMONIUM HYDROGEN CITRATE, MGCL2, PEG 6000, SUCROSE, GLYCEROL
Resolution 2.67 Å R-free 0.225
7WCE Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid Deposited 2021-12-20 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 1197–1359（163 aa）
Mutation：F1332K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 8Z3 (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；0.1 M Sodium cacodylate pH 6.5, 0.23 M Ammonium sulfate, 6% PEG 8000, 5 mM DTT
Resolution 1.85 Å R-free 0.214
7ZUD Crystal structure of HIV-1 capsid IP6-CPSF6 complex Deposited 2022-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 133–363（231 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.3M Calcium chloride dihydrate, 0.3 M Magnesium chloride hexahydrate, 0.1 M Tris hydrochloride pH 8.5, 0.1 M Bicine, 20% PEG 4000
Resolution 2.93 Å R-free 0.336
8A1P HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D Deposited 2022-06-01 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 5 GOL GLYCEROL × 2 LF0 (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；PEG 4000, ethylene glycol, magnesium chloride, calcium chloride, Tris-Bicine
Resolution 1.80 Å R-free 0.209
8A1Q HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) Deposited 2022-06-01 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded EDO 1,2-ETHANEDIOL × 15 WBV (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole-MES
Resolution 2.06 Å R-free 0.235
8BUV HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3 Deposited 2022-11-30 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 6 723 (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 2.04 Å R-free 0.247
8BV2 Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors Deposited 2022-12-01 Different construct Different mutation/modification Different oligomeric state 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）
Non-standard monomer：Yes (specific site not provided by mmCIF) RWR (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；3 microliters of protein at 5 mg/mL in 50 mM MES pH5.5, 50 mM NaCl, 5 mM DTT mixed with 3 microliters of reservoir solution containing 0.1 M sodium cacodylate pH 6.5, 1.26 M ammonium sulfate.
Resolution 2.00 Å R-free 0.226
8CBR HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 Deposited 2023-01-25 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded RWR (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 1.80 Å R-free 0.211
8CBS HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 Deposited 2023-01-25 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 1 U5L (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 1.70 Å R-free 0.198
8CBT HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 Deposited 2023-01-25 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded W2Q (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid × 2 EDO 1,2-ETHANEDIOL × 5 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 2.14 Å R-free 0.253
8CBU HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 Deposited 2023-01-25 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 7 U60 (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid × 2 MG MAGNESIUM ION × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 2.44 Å R-free 0.254
8CBV HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 Deposited 2023-01-25 Different construct Different mutation/modification 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 1367–1435（69 aa）
Chain A 1197–1359（163 aa）
Chain B 1367–1435（69 aa）
Chain B 1197–1359（163 aa）
Chain C 1367–1435（69 aa）
Chain C 1197–1359（163 aa）
Chain D 1367–1435（69 aa）
Chain D 1197–1359（163 aa）
Not recorded EDO 1,2-ETHANEDIOL × 10 PEG DI(HYDROXYETHYL)ETHER × 1 U5S (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES
Resolution 1.82 Å R-free 0.230
8F22 HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor. Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–356（224 aa）
Chain B 133–356（224 aa）
Chain C 133–356（224 aa）
Chain D 133–356（224 aa）
Chain E 133–356（224 aa）
Chain F 133–356（224 aa）
Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A XBQ Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291.15 K；0.2 M Calcium acetate hydrate, 100 mM sodium cacodylate pH 6.5, 40% w/v PEG300, 0.500 mM 11l, and previous crystal seed solution.
Resolution 2.50 Å R-free 0.347
8F22 HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor. Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 133–356（224 aa）
Chain H 133–356（224 aa）
Chain I 133–356（224 aa）
Chain J 133–356（224 aa）
Chain K 133–356（224 aa）
Chain L 133–356（224 aa）
Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A Mutation：A14C, E45C, W184A, M185A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291.15 K；0.2 M Calcium acetate hydrate, 100 mM sodium cacodylate pH 6.5, 40% w/v PEG300, 0.500 mM 11l, and previous crystal seed solution.
Resolution 2.50 Å R-free 0.347
8FN7 Structure of WT HIV-1 intasome bound to Dolutegravir Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Not recorded MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8FND Structure of E138K HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K Mutation：E138K Mutation：E138K Mutation：E138K Mutation：E138K Mutation：E138K Mutation：E138K Mutation：E138K MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8FNG Structure of G140A HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：G140A Mutation：G140A Mutation：G140A Mutation：G140A Mutation：G140A Mutation：G140A Mutation：G140A Mutation：G140A MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.20 Å
8FNH Structure of Q148K HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：Q148K Mutation：Q148K Mutation：Q148K Mutation：Q148K Mutation：Q148K Mutation：Q148K Mutation：Q148K Mutation：Q148K MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
8FNJ Structure of E138K/G140A HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: 12-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A Mutation：E138K,G140A MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.40 Å
8FNL Structure of E138K/Q148K HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K Mutation：E138K,Q148K MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8FNM Structure of G140A/Q148K HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: 12-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K Mutation：G140A,Q148K MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8FNN Structure of E138K/G140A/Q148K HIV-1 intasome with Dolutegravir bound Deposited 2022-12-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å
8FNO Structure of E138K/G140A/Q148R HIV-1 intasome with Dolutegravir bound Deposited 2022-12-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: 12-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R Mutation：E138K,G140A,Q148R MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.46 Å
8FNP Structure of E138K/G140S/Q148H HIV-1 intasome with Dolutegravir bound Deposited 2022-12-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H Mutation：E138K,G140S,Q148H MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.20 Å
8FNQ Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound Deposited 2022-12-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: dodecameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K Mutation：E138K,G140A,Q148K OZ1 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide × 2 MG MAGNESIUM ION × 4 ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8T5B HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110 Deposited 2023-06-12 Different construct Different mutation/modification 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 1204–1358（155 aa）
Chain B 1204–1358（155 aa）
Chain C 1368–1424（57 aa）
Chain D 1368–1424（57 aa）
Not recorded QD6 (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；10% (wt/vol) PEG 8,000, 20% ethylene glycol, 30 mM MgCl2, 30 mM CaCl2, and 0.1 M imidazole-MES (pH 6.5)
Resolution 2.08 Å R-free 0.265
8USY HIV-1 Integrase F185H N222K Complexed with Allosteric Inhibitor BI-D Deposited 2023-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1149–1435（287 aa）
Chain B 1149–1435（287 aa）
Mutation：Y15A, F185H, N222K Mutation：Y15A, F185H, N222K LF0 (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294.15 K；30% 2-methyl-2,4--pentanediol (MPD), 0.1M sodium citrate pH 5.6
Resolution 4.40 Å R-free 0.339
8V0Z HIV-1 Integrase F185H W131C Complexed with Allosteric Inhibitor BI-D Deposited 2023-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1149–1435（287 aa）
Chain B 1149–1435（287 aa）
Mutation：Y15A, F185H, W131C Mutation：Y15A, F185H, W131C LF0 (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294.15 K；30% 2-methyl-2,4--pentanediol (MPD), 0.1M sodium citrate pH 5.6
Resolution 4.56 Å R-free 0.334
8V23 Crystal structure of HIV-1 capsid N-terminal domain in the presence of Lenacapavir Deposited 2023-11-21 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 133–278（146 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；0.17 M Sodium acetate trihydrate, 0.085 M Sodium cacodylate trihydrate pH 6.5, 25.5% w/v Polyethylene glycol 8,000, 15% v/v Glycerol
Resolution 2.00 Å R-free 0.286
8V9C HIV-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264 Deposited 2023-12-07 Different construct Different mutation/modification 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 1149–1435（287 aa）
Chain B 1149–1435（287 aa）
Mutation：Y15A, F185H Mutation：Y15A, F185H 2SQ (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294.15 K；30% 2-methyl-2,4 pentanediol (MPD), 0.1 M sodium citrate pH 5.6 - 6.5
Resolution 4.40 Å R-free 0.341
8V9C HIV-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264 Deposited 2023-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1149–1435（287 aa）
Chain B 1149–1435（287 aa）
Mutation：Y15A, F185H Mutation：Y15A, F185H 2SQ (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；294.15 K；30% 2-methyl-2,4 pentanediol (MPD), 0.1 M sodium citrate pH 5.6 - 6.5
Resolution 4.40 Å R-free 0.341
8VC0 HIV-1 CA crosslinked pentamer in complex with GS-CA1 Deposited 2023-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 133–363（231 aa）
Chain B 133–363（231 aa）
Chain C 133–363（231 aa）
Chain D 133–363（231 aa）
Chain E 133–363（231 aa）
Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A A1AAO N-[(1S)-1-{(3M)-3-{4-chloro-3-[(cyclopropanesulfonyl)amino]-1-(2,2-difluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8000, 0.1 M HEPES, pH 6.8
Resolution 3.46 Å R-free 0.315
8VC0 HIV-1 CA crosslinked pentamer in complex with GS-CA1 Deposited 2023-12-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 133–363（231 aa）
Chain G 133–363（231 aa）
Chain H 133–363（231 aa）
Chain I 133–363（231 aa）
Chain J 133–363（231 aa）
Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A Mutation：N21C, A22C, W184A, M185A A1AAO N-[(1S)-1-{(3M)-3-{4-chloro-3-[(cyclopropanesulfonyl)amino]-1-(2,2-difluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8000, 0.1 M HEPES, pH 6.8
Resolution 3.46 Å R-free 0.315
8VXV HIV-1 R18L CA hexamer Deposited 2024-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–363（231 aa）
Mutation：R18L No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；50 mM Tris, pH 8, 1 M NaCl, 5 mM 2-mercaptoethanol
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8VXV HIV-1 R18L CA hexamer Deposited 2024-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 133–363（231 aa）
Mutation：R18L No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；50 mM Tris, pH 8, 1 M NaCl, 5 mM 2-mercaptoethanol
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8VXV HIV-1 R18L CA hexamer Deposited 2024-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 133–363（231 aa）
Mutation：R18L No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；50 mM Tris, pH 8, 1 M NaCl, 5 mM 2-mercaptoethanol
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8VXW HIV-1 R18L CA pentamer from capsid-like particles assembled in 1 M NaCl Deposited 2024-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 133–363（231 aa）
Chain B 133–363（231 aa）
Chain C 133–363（231 aa）
Chain D 133–363（231 aa）
Chain E 133–363（231 aa）
Mutation：R18L Mutation：R18L Mutation：R18L Mutation：R18L Mutation：R18L No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8；50 mM Tris, pH 8, 1 M NaCl, 5 mM 2-mercaptoethanol
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å
8X1Z HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C162S, C280S GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 XTE E-CFCP-triphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.62 Å R-free 0.223
8X1Z HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C162S, C280S GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 XTE E-CFCP-triphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.62 Å R-free 0.223
8X20 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:E-CFCP-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C162S, C280S XTE E-CFCP-triphosphate × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.70 Å R-free 0.231
8X20 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:E-CFCP-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C162S, C280S XTE E-CFCP-triphosphate × 1 GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.70 Å R-free 0.231
8X21 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C162S, C280S ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.33 Å R-free 0.218
8X21 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex Deposited 2023-11-09 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C162S, C280S ET9 [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.33 Å R-free 0.218
8X22 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex Deposited 2023-11-09 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: trimeric
Chain B 588–1015（428 aa）
Mutation：C162S, C280S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.31 Å R-free 0.219
8X22 HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex Deposited 2023-11-09 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: trimeric
Chain D 588–1015（428 aa）
Mutation：C162S, C280S DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；bis-tris-HCl, di-ammonium hydrogen citrate, MgCl2, PEG6000, sucrose, glycerol
Resolution 2.31 Å R-free 0.219
8ZH4 HIV-1 integrase core domain in complex with compound 5 Deposited 2024-05-10 Different construct Different mutation/modification Different oligomeric state 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：F185H Non-standard monomer：Yes (specific site not provided by mmCIF) PG4 TETRAETHYLENE GLYCOL × 2 A1L1V (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M sodium cacodylate, 0.2M ammonium sulfate, 7% (w/v) PEG 8000, 5mM DTT, soaking the crystal with 1mM compound 5
Resolution 1.82 Å R-free 0.220
8ZHA HIV-1 integrase core domain in complex with compound 15 Deposited 2024-05-10 Different construct Different mutation/modification Different oligomeric state 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：F185H Non-standard monomer：Yes (specific site not provided by mmCIF) PG4 TETRAETHYLENE GLYCOL × 2 A1L1W (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M sodium cacodylate, 0.2M ammonium sulfate, 7% (w/v) PEG 8000, 5mM DTT, soaking the crystal with 1mM compound 15
Resolution 1.95 Å R-free 0.211
9BW9 Tetrameric Complex of full-length HIV-1 integrase protein bound to the integrase binding domain of LEDGF/p75 Deposited 2024-05-21 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 × 8 PDB declaration: octameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.6
cryo-EM vitrification conditions Cryogen ETHANE；Cryo-EM grids were prepared by freezing using a manual plunger in cold room at 4C
Resolution 4.10 Å
9C29 Hexadecamer of NL4-3 WT HIV-1 intasome Deposited 2024-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 16 PDB declaration: 20-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain E 1148–1435（288 aa）
Chain F 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Chain K 1148–1435（288 aa）
Chain L 1148–1435（288 aa）
Chain M 1148–1435（288 aa）
Chain N 1148–1435（288 aa）
Chain O 1148–1435（288 aa）
Chain P 1148–1435（288 aa）
Not recorded MG MAGNESIUM ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；Cryo-EM grids were prepared by freezing using a manual plunger in cold room at 4C
Resolution 8.00 Å
9C9M HIV-1 intasome core bound with DTG Deposited 2024-06-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 8 PDB declaration: 12-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1332–1435（104 aa）
Chain I 1148–1435（288 aa）
Chain K 1148–1435（288 aa）
Chain L 1148–1435（288 aa）
Chain M 1332–1435（104 aa）
Not recorded MG MAGNESIUM ION × 4 ZN ZINC ION × 2 DLU (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.01 Å
9EK1 HIV-1 mature WT matrix protein p17 lattice Deposited 2024-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 39 PDB declaration: 39-meric
Chain A 2–116（115 aa）
Chain B 2–116（115 aa）
Chain C 2–116（115 aa）
Chain D 2–116（115 aa）
Chain E 2–116（115 aa）
Chain F 2–116（115 aa）
Chain G 2–116（115 aa）
Chain H 2–116（115 aa）
Chain I 2–116（115 aa）
Chain J 2–116（115 aa）
Chain K 2–116（115 aa）
Chain L 2–116（115 aa）
Chain M 2–116（115 aa）
Chain N 2–116（115 aa）
Chain O 2–116（115 aa）
Chain P 2–116（115 aa）
Chain Q 2–116（115 aa）
Chain R 2–116（115 aa）
Chain S 2–116（115 aa）
Chain T 2–116（115 aa）
Chain U 2–116（115 aa）
Chain V 2–116（115 aa）
Chain W 2–116（115 aa）
Chain X 2–116（115 aa）
Chain Y 2–116（115 aa）
Chain Z 2–116（115 aa）
Chain a 2–116（115 aa）
Chain b 2–116（115 aa）
Chain c 2–116（115 aa）
Chain d 2–116（115 aa）
Chain e 2–116（115 aa）
Chain f 2–116（115 aa）
Chain g 2–116（115 aa）
Chain h 2–116（115 aa）
Chain i 2–116（115 aa）
Chain j 2–116（115 aa）
Chain k 2–116（115 aa）
Chain l 2–116（115 aa）
Chain m 2–116（115 aa）
Not recorded MYR MYRISTIC ACID × 39 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 7.30 Å
9EK2 HIV-1 immature L20K/E73K/A82T matrix protein p17 lattice Deposited 2024-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 39 PDB declaration: 39-meric
Chain A 2–116（115 aa）
Chain B 2–116（115 aa）
Chain C 2–116（115 aa）
Chain D 2–116（115 aa）
Chain E 2–116（115 aa）
Chain F 2–116（115 aa）
Chain G 2–116（115 aa）
Chain H 2–116（115 aa）
Chain I 2–116（115 aa）
Chain J 2–116（115 aa）
Chain K 2–116（115 aa）
Chain L 2–116（115 aa）
Chain M 2–116（115 aa）
Chain N 2–116（115 aa）
Chain O 2–116（115 aa）
Chain P 2–116（115 aa）
Chain Q 2–116（115 aa）
Chain R 2–116（115 aa）
Chain S 2–116（115 aa）
Chain T 2–116（115 aa）
Chain U 2–116（115 aa）
Chain V 2–116（115 aa）
Chain W 2–116（115 aa）
Chain X 2–116（115 aa）
Chain Y 2–116（115 aa）
Chain Z 2–116（115 aa）
Chain a 2–116（115 aa）
Chain b 2–116（115 aa）
Chain c 2–116（115 aa）
Chain d 2–116（115 aa）
Chain e 2–116（115 aa）
Chain f 2–116（115 aa）
Chain g 2–116（115 aa）
Chain h 2–116（115 aa）
Chain i 2–116（115 aa）
Chain j 2–116（115 aa）
Chain k 2–116（115 aa）
Chain l 2–116（115 aa）
Chain m 2–116（115 aa）
Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T Mutation：L20K,E73K,A82T MYR MYRISTIC ACID × 39 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 8.30 Å
9EK3 HIV-1 immature WT matrix protein p17 lattice Deposited 2024-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 39 PDB declaration: 39-meric
Chain A 2–116（115 aa）
Chain B 2–116（115 aa）
Chain C 2–116（115 aa）
Chain D 2–116（115 aa）
Chain E 2–116（115 aa）
Chain F 2–116（115 aa）
Chain G 2–116（115 aa）
Chain H 2–116（115 aa）
Chain I 2–116（115 aa）
Chain J 2–116（115 aa）
Chain K 2–116（115 aa）
Chain L 2–116（115 aa）
Chain M 2–116（115 aa）
Chain N 2–116（115 aa）
Chain O 2–116（115 aa）
Chain P 2–116（115 aa）
Chain Q 2–116（115 aa）
Chain R 2–116（115 aa）
Chain S 2–116（115 aa）
Chain T 2–116（115 aa）
Chain U 2–116（115 aa）
Chain V 2–116（115 aa）
Chain W 2–116（115 aa）
Chain X 2–116（115 aa）
Chain Y 2–116（115 aa）
Chain Z 2–116（115 aa）
Chain a 2–116（115 aa）
Chain b 2–116（115 aa）
Chain c 2–116（115 aa）
Chain d 2–116（115 aa）
Chain e 2–116（115 aa）
Chain f 2–116（115 aa）
Chain g 2–116（115 aa）
Chain h 2–116（115 aa）
Chain i 2–116（115 aa）
Chain j 2–116（115 aa）
Chain k 2–116（115 aa）
Chain l 2–116（115 aa）
Chain m 2–116（115 aa）
Not recorded MYR MYRISTIC ACID × 39 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 8.00 Å
9N0V Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027 Deposited 2025-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 133–352（220 aa）
Chain B 133–352（220 aa）
Not recorded A1BUL N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；200 mM NaI, 100 mM Sodium cacodylate pH 6.5, 6% glycerol, 9% PEG 3350
Resolution 2.98 Å R-free 0.309
9N0V Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027 Deposited 2025-01-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain C 133–352（220 aa）
Chain D 133–352（220 aa）
Not recorded A1BUL N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；200 mM NaI, 100 mM Sodium cacodylate pH 6.5, 6% glycerol, 9% PEG 3350
Resolution 2.98 Å R-free 0.309
9NLP HIV-1 Reverse Transcriptase with New Non-Nucleoside Reverse Transcriptase Inhibitor 12126065 Deposited 2025-03-03 Different construct Different mutation/modification Different oligomeric state 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 588–1147（560 aa）
Chain B 588–1027（440 aa）
Not recorded A1BYY 4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8；50mM Tris-HCl pH=8, 60mM NaCl
cryo-EM vitrification conditions Cryogen ETHANE；The cryo-EM grids used for single particle collection were Quantifoil R 2/1 300 gold mesh grids with carbon coating. The grids were glow-discharged for 25 s at 25 mA with the chamber pressure set at 0.3 mbar (PELCO easiGlow; Ted Pella). The grids were prepared using the Leica GP2 plunge freezer with its chamber set to 10oC and 95% humidity. Samples of purified HIV-1 RT were diluted to 1mg/mL and 2 molar equivalents of the appropriate compound 12126065 were incubated on a 4oC rotator overnight to combine. A total of 4uL of HIV-1 RT and compound were applied to the backside of the Quantifoil grid and blotted for 4 seconds on the carbon side before plunge frozen in ethane at -181oC.
Resolution 3.53 Å
9ON8 Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (R) and Inositol hexakisphosphate (IP6) Deposited 2025-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 278–377（100 aa） Fragment：residues 278-377
Chain H 278–377（100 aa） Fragment：residues 278-377
Chain I 278–377（100 aa） Fragment：residues 278-377
Chain J 278–377（100 aa） Fragment：residues 278-377
Chain K 278–377（100 aa） Fragment：residues 278-377
Chain L 278–377（100 aa） Fragment：residues 278-377
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 A1CCY 1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one × 1 SOLID-STATE NMR
NMR measurement conditions pH 8；277 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；310 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；306 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；288 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；263 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, deuterated protein buffer | deuterated protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (R), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
Resolution not provided
9ON9 Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (R) and Inositol hexakisphosphate (IP6) Deposited 2025-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 278–377（100 aa） Fragment：residues 278-377
Chain H 278–377（100 aa） Fragment：residues 278-377
Chain I 278–377（100 aa） Fragment：residues 278-377
Chain J 278–377（100 aa） Fragment：residues 278-377
Chain K 278–377（100 aa） Fragment：residues 278-377
Chain L 278–377（100 aa） Fragment：residues 278-377
Not recorded A1CCY 1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one × 1 IHP INOSITOL HEXAKISPHOSPHATE × 1 SOLID-STATE NMR
NMR measurement conditions pH 8；277 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；310 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；306 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；288 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；263 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, deuterated protein buffer | deuterated protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (R), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
Resolution not provided
9ONA Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (S) and Inositol hexakisphosphate (IP6) Deposited 2025-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 278–377（100 aa） Fragment：residues 278-377
Chain H 278–377（100 aa） Fragment：residues 278-377
Chain I 278–377（100 aa） Fragment：residues 278-377
Chain J 278–377（100 aa） Fragment：residues 278-377
Chain K 278–377（100 aa） Fragment：residues 278-377
Chain L 278–377（100 aa） Fragment：residues 278-377
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 A1CCZ 1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one × 1 SOLID-STATE NMR
NMR measurement conditions pH 8；277 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；310 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；306 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；288 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；263 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-13C; U-15N; U-2H] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 capsid C-terminal domain, 360 uM PF-46396 (S), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
Resolution not provided
9ONB Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (S) and Inositol hexakisphosphate (IP6) Deposited 2025-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain G 278–377（100 aa） Fragment：residues 278-377
Chain H 278–377（100 aa） Fragment：residues 278-377
Chain I 278–377（100 aa） Fragment：residues 278-377
Chain J 278–377（100 aa） Fragment：residues 278-377
Chain K 278–377（100 aa） Fragment：residues 278-377
Chain L 278–377（100 aa） Fragment：residues 278-377
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 A1CCZ 1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one × 1 SOLID-STATE NMR
NMR measurement conditions pH 8；277 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；310 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；306 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；306 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR measurement conditions pH 8；263 K；Ionic strength (raw mmCIF value) 250；Pressure 1
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 CACTD-SP1/PF-46396(racem)/IP6, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-13C; U-15N; U-2H] HIV-1 CACTD-SP1/PF-46396(racem)/IP6, 360 uM PF-46396 (racemic), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
NMR sample composition 400 uM [U-100% 13C; U-100% 15N] HIV-1 CACTD-SP1/PF-46396(racem)/IP6, 360 uM PF-46396 (S), 400 uM INOSITOL HEXAKISPHOSPHATE, protein buffer | protein buffer
Resolution not provided
9PYX Crystal structure of WT HIV-1 protease (NL4-3) with inhibitor J02-30 Deposited 2025-08-08 Different construct Different mutation/modification Different oligomeric state 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 A1CM5 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.73 Å R-free 0.247
9PZ1 Crystal structure of WT HIV-1 protease (NL4-3) with inhibitor LR4-43 Deposited 2025-08-08 Different construct Different mutation/modification Different oligomeric state 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 DMS DIMETHYL SULFOXIDE × 1 A1CM6 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.80 Å R-free 0.253
9Q0T Crystal structure of WT HIV-1 protease (NL4-3) with inhibitor NR05-01 Deposited 2025-08-13 Different construct Different mutation/modification Different oligomeric state 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 SO4 SULFATE ION × 3 A1CNI (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.87 Å R-free 0.234
9Q13 Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor NR05-04 Deposited 2025-08-13 Different construct Different mutation/modification Different oligomeric state 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 A1CNJ (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.72 Å R-free 0.237
9Q1C Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor LR4-46 Deposited 2025-08-13 Different construct Different mutation/modification Different oligomeric state 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 A1CNK (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.94 Å R-free 0.252
9Q1P Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor NR05-03 Deposited 2025-08-14 Different construct Different mutation/modification Different oligomeric state 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 A1CNO (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxybutan-2-yl]carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5
Resolution 1.87 Å R-free 0.255
9Q3P Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor LR4-45 Deposited 2025-08-19 Different construct Different mutation/modification Different oligomeric state 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 A1CNY (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5
Resolution 1.90 Å R-free 0.242
9Q3T Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor NR03-92 Deposited 2025-08-19 Different construct Different mutation/modification Different oligomeric state 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 SO4 SULFATE ION × 1 A1CNZ (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5
Resolution 1.87 Å R-free 0.246
9Q50 AK01 integrase inhibitor bound to Wild-type HIV-1 intasome Deposited 2025-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 4 PDB declaration: hexameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 2 A1COF 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；Cryo-EM grids were prepared by freezing using a Vitrobot plunge freezer (Thermo Fisher Scientific) at 20C with 100% humidity
Resolution 2.33 Å
9Q57 XZ440 integrase inhibitor bound to Wild-type HIV-1 intasome Deposited 2025-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Homooligomer；Protein × 4 PDB declaration: hexameric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Not recorded MG MAGNESIUM ION × 2 ZN ZINC ION × 2 R7K ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 6.2
cryo-EM vitrification conditions Cryogen ETHANE；Cryo-EM grids were prepared by freezing using a Vitrobot plunge freezer (Thermo Fisher Scientific) at 20C with 100% humidity
Resolution 2.28 Å
9Q5D Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor J02-37 Deposited 2025-08-20 Different construct Different mutation/modification Different oligomeric state 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 A1COE (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5
Resolution 1.94 Å R-free 0.243
9RMX CryoEM reconstruction of integrase filament at the lumen of native HIV-1 cores (box size 34.2 nm) Deposited 2025-06-19 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 × 44 PDB declaration: 44-meric
Chain A 1148–1435（288 aa）
Chain B 1148–1435（288 aa）
Chain C 1148–1435（288 aa）
Chain D 1148–1435（288 aa）
Chain E 1148–1435（288 aa）
Chain F 1148–1435（288 aa）
Chain G 1148–1435（288 aa）
Chain H 1148–1435（288 aa）
Chain I 1148–1435（288 aa）
Chain J 1148–1435（288 aa）
Chain K 1148–1435（288 aa）
Chain L 1148–1435（288 aa）
Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N Mutation：D64N, D116N ZN ZINC ION × 12 IHP INOSITOL HEXAKISPHOSPHATE × 8 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 4.63 Å

163 other PDB entries and 211 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name POL_HV1N5
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 21–183； UniProt 1197–1359 Author chain B； PDBConstruct 21–183； UniProt 1197–1359

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 3avm

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id3avm
Deposition date deposition_date2011-03-05
Structure title titleCrystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Keywords keywordsprotein-protein interactions, HIV, RECOMBINATION-INHIBITOR complex; RECOMBINATION/INHIBITOR
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_guinier20.06 Å
Radius of gyration Rg (electron density) rg_electron18.85 Å
Forward intensity I(0) i023324700.00
Molecular weight molecular_weight35835.0 kDa
Excluded volume excluded_volume44414 ų
Envelope volume envelope_volume51825 ų
Hydration-shell volume shell_volume22198 ų
Envelope diameter envelope_diameter63.2 Å
Shell Rg shell_rg25.99 Å
Envelope Rg envelope_rg19.17 Å
Shape Rg shape_rg18.83 Å
Total Rg total_rg19.81 Å
Total atoms total_atoms2508
Residues n_residues314
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 dmax61.6 Å
Rg (real space) rg_real19.91 Å
Rg uncertainty (real space) rg_real_error0.23 Å
I(0) (real space) i0_real2.3320e+07
I(0) uncertainty (real space) i0_real_error2.5830e+05
Rg (reciprocal space) rg_reciprocal19.94 Å
I(0) (reciprocal space) i0_reciprocal23330000.0000
Solution quality estimate total_estimate0.7597
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.5 Å
Skewness Skewness skewness0.070
Kurtosis Kurtosis kurtosis-0.476
Angular range angular_range— – 0.3950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6824000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 0.406; Positv: 1.000; Valcen: 0.972; Smooth: 0.999
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id3avmA00
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_id3avmB00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
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8. Citations (1)

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9. Files and Curves (10)