|
1GWP
STRUCTURE OF THE N-TERMINAL DOMAIN OF THE MATURE HIV-1 CAPSID PROTEIN
Deposited 2002-03-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
|
Assembly 1
Protein monomer
Monomer；Protein × 1
PDB declaration: monomeric
|
Chain A
132–282（151 aa）
Fragment：AMINO-TERMINAL CORE DOMAIN RESIDUES 132 - 282
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 5.5；298 K；Ionic strength (raw mmCIF value) 10；Pressure 1
|
Resolution not provided
|
|
1HIW
TRIMERIC HIV-1 MATRIX PROTEIN
Deposited 1996-02-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 3
PDB declaration: trimeric
|
Chain A
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
Chain B
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
Chain C
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
|
Not recorded
|
SO4 SULFATE ION × 3
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.30 Å
R-free 0.332
|
|
1HIW
TRIMERIC HIV-1 MATRIX PROTEIN
Deposited 1996-02-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 3
PDB declaration: trimeric
|
Chain Q
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
Chain R
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
Chain S
1–131（131 aa）
Fragment：CORE PROTEIN P17, RESIDUES 1 - 131 OF GAG POLYPROTEIN WITH N-TERMINAL HIS AND MET
|
Not recorded
|
SO4 SULFATE ION × 5
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.30 Å
R-free 0.332
|
|
1UPH
HIV-1 Myristoylated Matrix
Deposited 2003-10-01
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
|
Assembly 1
Protein monomer
Monomer；Protein × 1
PDB declaration: monomeric
|
Chain A
1–131（131 aa）
Fragment：RESIDUES 1-131
|
Non-standard monomer：Yes (specific site not provided by mmCIF)
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 5.5；308 K；Ionic strength (raw mmCIF value) 100MM NACL；Pressure 1
|
Resolution not provided
|
|
2C55
Solution Structure of the Human Immunodeficiency Virus Type 1 p6 Protein
Deposited 2005-10-25
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
|
Assembly 1
Protein monomer
Monomer；Protein × 1
PDB declaration: monomeric
|
Chain A
448–499（52 aa）
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 3；300 K；Pressure 1.0
NMR sample composition
50% WATER/50% TFE-D2
|
Resolution not provided
|
|
2X2D
acetyl-CypA:HIV-1 N-term capsid domain complex
Deposited 2010-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
Chain D
133–278（146 aa）
Fragment：RESIDUES 133-278
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 1.95 Å
R-free 0.257
|
|
2X2D
acetyl-CypA:HIV-1 N-term capsid domain complex
Deposited 2010-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 2
PDB declaration: dimeric
|
Chain E
133–278（146 aa）
Fragment：RESIDUES 133-278
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 1.95 Å
R-free 0.257
|
|
3GV2
X-ray Structure of Hexameric HIV-1 CA
Deposited 2009-03-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
Chain B
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
Chain C
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
Chain D
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
Chain E
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
Chain F
133–351（219 aa）
Fragment：UNP residues 133-351 of Capsid protein p24, UNP residues 1-109 of CCMK
|
Mutation：W184A,M185A
Mutation：W184A,M185A
Mutation：W184A,M185A
Mutation：W184A,M185A
Mutation：W184A,M185A
Mutation：W184A,M185A
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M imidazole, pH 6.5, 600 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 7.00 Å
R-free 0.323
|
|
4U0A
Hexameric HIV-1 CA in complex with CPSF6 peptide, P6 crystal form
Deposited 2014-07-11
|
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 × 12
PDB declaration: Dodecameric
|
Chain A
133–363（231 aa）
|
Mutation：A14C,E45C,W184A,M185A
|
CL CHLORIDE ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.6M sodium potassium tartrate tetrahydrate, 0.1M TRIS
|
Resolution 2.05 Å
R-free 0.253
|
|
4U0B
Hexamer HIV-1 CA in complex with CPSF6 peptide, P212121 crystal form
Deposited 2014-07-11
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
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：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；20% v/v PEG 300, 10% v/v glycerol, 5% w/v PEG 8K, 0.1 M TRIS
|
Resolution 2.80 Å
R-free 0.262
|
|
4U0B
Hexamer HIV-1 CA in complex with CPSF6 peptide, P212121 crystal form
Deposited 2014-07-11
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 12
PDB declaration: Dodecameric
|
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：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；20% v/v PEG 300, 10% v/v glycerol, 5% w/v PEG 8K, 0.1 M TRIS
|
Resolution 2.80 Å
R-free 0.262
|
|
4U0C
Hexameric HIV-1 CA in complex with Nup153 peptide, P6 crystal form
Deposited 2014-07-11
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 12
PDB declaration: Dodecameric
|
Chain A
133–363（231 aa）
|
Mutation：yes
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9.5；290 K；30% v/v PEG 400, 0.1 M CHES
|
Resolution 1.77 Å
R-free 0.211
|
|
4U0D
Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form
Deposited 2014-07-11
|
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 × 9
PDB declaration: Nonameric
|
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：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；10% w/v PEG 8K, 0.1M imidazole
|
Resolution 3.00 Å
R-free 0.267
|
|
4U0D
Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form
Deposited 2014-07-11
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: Nonameric
|
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：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
Mutation：yes
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；10% w/v PEG 8K, 0.1M imidazole
|
Resolution 3.00 Å
R-free 0.267
|
|
4U0E
Hexameric HIV-1 CA in complex with PF3450074
Deposited 2014-07-11
|
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：yes
|
CL CHLORIDE ION × 6
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 8.5；290 K；0.2 M magnesium chloride, 8% w/v PEG 20K, 8% v/v PEG 550 MME, 0.1 M TRIS pH 8.5, 3% w/v 1,5-diaminopentane dihydrochloride
|
Resolution 2.04 Å
R-free 0.239
|
|
4U0F
Hexameric HIV-1 CA in Complex with BI-2
Deposited 2014-07-11
|
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：yes
|
EDO 1,2-ETHANEDIOL × 6
3A8 (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；12% w/v PEG 4K, 0.1 M TRIS pH 8.5, 3% v/v ethylene glycol
|
Resolution 2.22 Å
R-free 0.270
|
|
4XFX
Structure of the native full-length HIV-1 capsid protein
Deposited 2014-12-29
|
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）
|
Not recorded
|
IOD IODIDE ION × 42
CL CHLORIDE ION × 12
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG3350, NaI, MMT
|
Resolution 2.43 Å
R-free 0.249
|
|
4XFY
Structure of the native full-length dehydrated HIV-1 capsid protein
Deposited 2014-12-29
|
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）
|
Not recorded
|
CL CHLORIDE ION × 12
1PE PENTAETHYLENE GLYCOL × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；PEG3350, NaI, Sodium cacodylate
|
Resolution 2.80 Å
R-free 0.250
|
|
4XFZ
Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74)
Deposited 2014-12-29
|
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）
|
Not recorded
|
IOD IODIDE ION × 36
CL CHLORIDE ION × 12
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, HANGING DROP；291 K；PEG3350, NaI, Sodium cacodylate
|
Resolution 2.70 Å
R-free 0.241
|
|
4XRO
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I)
Deposited 2015-01-21
|
Different construct
Different mutation/modification
Different oligomeric state
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：A14C,S41A,E45C,Q67H,V165I,L172I,W184A,M185A
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1 M NaCl, 12% w/v PEG 4K, 0.1 M TRIS pH 8.5, 4% v/v formamide
|
Resolution 2.01 Å
R-free 0.226
|
|
4XRQ
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with PF-3450074
Deposited 2015-01-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–363（231 aa）
|
Mutation：A14C,S41A,E45C,Q67H,V165I,L172I,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 8.5；290 K；0.2 M potassium thiocyanate, 8% w/v PEG 20K, 8% v/v PEG 550 MME, 0.1 M TRIS pH 8.5, 3% 1,4-dioxane
|
Resolution 1.95 Å
R-free 0.221
|
|
5HGL
Hexameric HIV-1 CA, open conformation
Deposited 2016-01-08
|
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）
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：C14A, C45E, A184W, A185M
Mutation：C14A, C45E, A184W, A185M
Mutation：C14A, C45E, A184W, A185M
Mutation：C14A, C45E, A184W, A185M
Mutation：C14A, C45E, A184W, A185M
Mutation：C14A, C45E, A184W, A185M
|
1B0 N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE × 6
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5)
|
Resolution 3.10 Å
R-free 0.282
|
|
5HGM
Hexameric HIV-1 CA in complex with dATP
Deposited 2016-01-08
|
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：C14A, C45E, A184W, A185M
|
DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5), 10mM dATP
|
Resolution 2.04 Å
R-free 0.263
|
|
5HGN
Hexameric HIV-1 CA, apo form
Deposited 2016-01-08
|
Different construct
Different mutation/modification
Different oligomeric state
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：C14A, C45E, A184W, A185M
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5)
|
Resolution 1.90 Å
R-free 0.223
|
|
5HGO
Hexameric HIV-1 CA R18G mutant
Deposited 2016-01-08
|
Different construct
Different mutation/modification
Different oligomeric state
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：C14A, C45E, A184W, A185M, R18G
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5)
|
Resolution 2.00 Å
R-free 0.221
|
|
5HGP
Hexameric HIV-1 CA in complex with hexacarboxybenzene
Deposited 2016-01-08
|
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：C14A, C45E, A184W, A185M
|
BHC BENZENE HEXACARBOXYLIC ACID × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5), Mellitic acid (1mM). Mellitic acid stock was adjusted to pH 8.0 with TRIS prior to setting up trays.
|
Resolution 1.95 Å
R-free 0.221
|
|
5IRT
Dimerization interface of the noncrystalline HIV-1 capsid protein lattice from solid state NMR spectroscopy of tubular assemblies
Deposited 2016-03-14
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
|
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
|
SOLID-STATE NMR
NMR measurement conditions
pH 8；278 K；Ionic strength (raw mmCIF value) 1；Pressure 1
NMR sample composition
15 mM U-15N,13C-Met and U-15N Capsid protein, water | water
NMR sample composition
15 mM 2-13C-glycerol and U-15N Capsid protein, water | water
NMR sample composition
15 mM 2-13C-glycerol, U-15N, unlabeled Tyr and Phe Capsid protein, water | water
NMR sample composition
7.5 mM Methyl-13C-Met Capsid protein-1, 7.5 mM 15N-indole Capsid protein-2, water | water
NMR sample composition
15 mM Methyl-13C-Met, 2-13C-indole, U-15N Capsid protein, water | water
|
Resolution not provided
|
|
5JPA
Hexameric HIV-1 CA H12Y mutant
Deposited 2016-05-03
|
Different construct
Different mutation/modification
Different oligomeric state
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：H12Y, A14C, E45C, W184A, M185A
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；PEG 550MME (12% w/v), KSCN (0.15M), 0.1M TRIS
|
Resolution 1.70 Å
R-free 0.232
|
|
5L93
An atomic model of HIV-1 CA-SP1 reveals structures regulating assembly and maturation
Deposited 2016-06-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 18
PDB declaration: octadecameric
|
Chain A
148–371（224 aa）
Chain B
148–371（224 aa）
Chain C
148–371（224 aa）
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；Virus-like particles were assembled in the presence of nucleic acid (73mer oligonucleotide, 1:10 molar ratio oligonucleotide:protein).
cryo-EM vitrification conditions
Cryogen ETHANE；10nM colloidal gold was added to the sample prior to plunge freezing.
|
Resolution 3.90 Å
|
|
5O2U
Llama VHH in complex with p24
Deposited 2017-05-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 4
PDB declaration: tetrameric
|
Chain A
1–500（500 aa）
Chain C
1–500（500 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100mM Tris base pH 8.0, Polyethylene glycol (PEG) 6000
25% Ethylene Glycol
|
Resolution 2.76 Å
R-free 0.256
|
|
5TSV
HIV-1 CA hexamer with NUP153 peptide - R3 crystal form
Deposited 2016-10-31
|
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 × 9
PDB declaration: nonameric
|
Chain A
133–363（231 aa）
Chain B
133–363（231 aa）
|
Not recorded
|
FLU 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Tris, pH 8.2
12% PEG 8000
2% Tacsimate
|
Resolution 2.50 Å
R-free 0.251
|
|
5TSX
HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
Deposited 2016-10-31
|
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 × 9
PDB declaration: nonameric
|
Chain A
133–363（231 aa）
Chain D
133–363（231 aa）
Chain E
133–363（231 aa）
Chain H
133–363（231 aa）
Chain I
133–363（231 aa）
Chain K
133–363（231 aa）
|
Not recorded
|
FLU 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Tris, pH 9
12% PEG 8000
|
Resolution 1.90 Å
R-free 0.228
|
|
5TSX
HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
Deposited 2016-10-31
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: nonameric
|
Chain B
133–363（231 aa）
Chain C
133–363（231 aa）
Chain F
133–363（231 aa）
Chain G
133–363（231 aa）
Chain J
133–363（231 aa）
Chain L
133–363（231 aa）
|
Not recorded
|
FLU 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；0.1 M Tris, pH 9
12% PEG 8000
|
Resolution 1.90 Å
R-free 0.228
|
|
5UPW
CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
Deposited 2017-02-04
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–353（221 aa）
Fragment：UNP residues 133-353
Chain B
133–353（221 aa）
Fragment：UNP residues 133-353
Chain C
133–353（221 aa）
Fragment：UNP residues 133-353
Chain D
133–353（221 aa）
Fragment：UNP residues 133-353
Chain E
133–353（221 aa）
Fragment：UNP residues 133-353
Chain F
133–353（221 aa）
Fragment：UNP residues 133-353
|
Mutation：A92E
Mutation：A92E
Mutation：A92E
Mutation：A92E
Mutation：A92E
Mutation：A92E
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE；The assembled sample (1.5 microliter) was
applied to the carbon side of a glow discharged perforated Quantifoil grid, followed by application of 3 microliter of low salt buffer (100 milimolar NaCl, 50 milimolar Tris pH 8.0) on the back side of the grid, and blotting, from the back side, with a filter paper, before plunge-freezing in liquid
ethane
|
Resolution 5.00 Å
|
|
6AYA
Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide
Deposited 2017-09-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 12
PDB declaration: dodecameric
|
Chain A
133–363（231 aa）
|
Not recorded
|
IOD IODIDE ION × 42
CL CHLORIDE ION × 12
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG3350, NaI, MIB, Glycerol
|
Resolution 2.40 Å
R-free 0.274
|
|
6BHS
HIV-1 CA hexamer in complex with IP6, hexagonal crystal form
Deposited 2017-10-31
|
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：A146C, E177C, W316A, M317A
|
IHP INOSITOL HEXAKISPHOSPHATE × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；293 K；10% PEG 8,000, 2% Tacsimate, 0.1 M Tris
|
Resolution 1.98 Å
R-free 0.284
|
|
6BHT
HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form
Deposited 2017-10-31
|
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）
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：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
|
IHP INOSITOL HEXAKISPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；290 K；8% PEG 8000, 0.1M Tris
|
Resolution 2.69 Å
R-free 0.255
|
|
6BHT
HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form
Deposited 2017-10-31
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
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：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
Mutation：A146C, E177C, W316A, M317A
|
IHP INOSITOL HEXAKISPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；290 K；8% PEG 8000, 0.1M Tris
|
Resolution 2.69 Å
R-free 0.255
|
|
6H09
HIV capsid hexamer with IP6 ligand
Deposited 2018-07-06
|
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
133–351（219 aa）
|
Not recorded
|
IHP INOSITOL HEXAKISPHOSPHATE × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
BATCH MODE；293 K；PEG 4K
|
Resolution 2.00 Å
R-free 0.266
|
|
6WAP
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
Deposited 2020-03-25
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
|
Assembly 1
Protein monomer
Monomer；Protein × 1
PDB declaration: monomeric
|
Chain A
133–363（231 aa）
|
Not recorded
|
No recorded non-water small molecule
|
SOLID-STATE NMR
NMR measurement conditions
pH 6；277 K；Ionic strength (raw mmCIF value) 2.4；Pressure 1
NMR sample composition
100 % [U-13C; U-15N] HIV-1 capsid protein, solid | solid
NMR sample composition
100 % [1,6-13C]-Glucose,U-15N HIV-1 capsid protein, solid | solid
NMR sample composition
100 % [2-13C]-Glucose,U-15N HIV-1 capsid protein, solid | solid
NMR sample composition
100 % 13C,15N-His HIV-1 capsid protein, solid | solid
NMR sample composition
100 % 13C,15N-Tyr HIV-1 capsid protein, solid | solid
NMR sample composition
50 % 13C,15N-Ala HIV-1 capsid protein, 50 % 13C,15N-Ile HIV-1 capsid protein, solid | solid
NMR sample composition
50 % 13C,15N-Ala HIV-1 capsid protein, 50 % 13C,15N-Val HIV-1 capsid protein, solid | solid
NMR sample composition
86 % HIV-1 capsid protein, 14 % U-13C,15N-CA HIV-1 capsid protein, solid | solid
NMR sample composition
50 % [U-13C] HIV-1 capsid protein, 50 % [U-15N] HIV-1 capsid protein, solid | solid
|
Resolution not provided
|
|
7M9F
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Deposited 2021-03-31
|
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）
|
Not recorded
|
YTG N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide × 6
IOD IODIDE ION × 30
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG 3350, NaI, Sodium Cacodylate, Glycerol
|
Resolution 2.70 Å
R-free 0.253
|
|
7QDF
Hexameric HIV-1 (M-group) CA R120 mutant
Deposited 2021-11-26
|
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 AAA
133–363（231 aa）
|
Mutation：R120
|
IOD IODIDE ION × 12
CL CHLORIDE ION × 30
BME BETA-MERCAPTOETHANOL × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；9.5% PEG 3350 (v/v), 310 mM NaI, 100 mM Sodium Cacodylate. Crystals grew in 1 uL protein (3 mg/mL) + 1 uL crystallant. Cryoprotected in 20% (v/v) Glycerol.
|
Resolution 2.30 Å
R-free 0.278
|
|
7RAO
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer
Deposited 2021-07-02
|
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）
Chain B
133–363（231 aa）
|
Mutation：A14C, E45C, M66I, W184A, M185A
Mutation：A14C, E45C, M66I, W184A, M185A
|
IOD IODIDE ION × 18
CL CHLORIDE ION × 21
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.125-0.35M Sodium Iodide, 2-8% Peg 3350, 6% glycerol, 0.1M sodium cacodylate pH 6.5
|
Resolution 2.29 Å
R-free 0.244
|
|
7RAO
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer
Deposited 2021-07-02
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain C
133–363（231 aa）
|
Mutation：A14C, E45C, M66I, W184A, M185A
|
IOD IODIDE ION × 24
CL CHLORIDE ION × 30
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.125-0.35M Sodium Iodide, 2-8% Peg 3350, 6% glycerol, 0.1M sodium cacodylate pH 6.5
|
Resolution 2.29 Å
R-free 0.244
|
|
7RAR
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
Deposited 2021-07-02
|
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 C
133–363（231 aa）
|
Mutation：A14C, E45C, Q67H, W184A, M185A
|
IOD IODIDE ION × 36
CL CHLORIDE ION × 24
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.425M NaI, 4% peg 3350, 6% glycerol, 0.1M sodium cacodylate trihydrate pH 6.5
|
Resolution 2.15 Å
R-free 0.240
|
|
7RHN
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Deposited 2021-07-17
|
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 C
133–363（231 aa）
|
Mutation：A14C, E45C, Q67H, W184A, M185A
|
QNG Lenacapavir × 6
IOD IODIDE ION × 18
CL CHLORIDE ION × 24
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.35M NaI, 4% peg 3350, 6% glycerol, 0.1M sodium cacodylate trihydrate pH 6.5
|
Resolution 2.46 Å
R-free 0.288
|
|
7URN
Structure of HIV-1 capsid declination
Deposited 2022-04-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 35
PDB declaration: 35-meric
|
Chain A
133–363（231 aa）
Chain L
133–363（231 aa）
Chain M
133–363（231 aa）
Chain N
133–363（231 aa）
Chain O
133–363（231 aa）
Chain P
133–363（231 aa）
Chain Q
133–363（231 aa）
|
Not recorded
|
IHP INOSITOL HEXAKISPHOSPHATE × 10
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6
cryo-EM vitrification conditions
Cryogen ETHANE；Manual plunge-freezing
|
Resolution 3.43 Å
|
|
8EJL
Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
Deposited 2022-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 30
PDB declaration: 30-meric
|
Chain A
133–363（231 aa）
Chain L
133–363（231 aa）
Chain M
133–363（231 aa）
Chain N
133–363（231 aa）
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6
cryo-EM vitrification conditions
Cryogen ETHANE；Manual plunge-freezing
|
Resolution 3.90 Å
|
|
8EJL
Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
Deposited 2022-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–363（231 aa）
Chain L
133–363（231 aa）
Chain M
133–363（231 aa）
Chain N
133–363（231 aa）
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6
cryo-EM vitrification conditions
Cryogen ETHANE；Manual plunge-freezing
|
Resolution 3.90 Å
|
|
8EJL
Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
Deposited 2022-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein heterocomplex
Heteromer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–363（231 aa）
Chain L
133–363（231 aa）
Chain M
133–363（231 aa）
Chain N
133–363（231 aa）
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6
cryo-EM vitrification conditions
Cryogen ETHANE；Manual plunge-freezing
|
Resolution 3.90 Å
|
|
8QUB
Hexameric HIV-1 CA in complex with DDD00074110
Deposited 2023-10-16
|
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）
|
Not recorded
|
WVZ (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.63 Å
R-free 0.210
|
|
8QUH
Hexameric HIV-1 CA in complex with DDD00057456
Deposited 2023-10-16
|
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）
|
Not recorded
|
AJ2 4-methylquinolin-2-ol × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.55 Å
R-free 0.195
|
|
8QUI
Hexameric HIV-1 CA in complex with DDD00024969
Deposited 2023-10-16
|
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）
|
Not recorded
|
XXL ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.69 Å
R-free 0.216
|
|
8QUJ
Hexameric HIV-1 CA in complex with DDD00100452
Deposited 2023-10-16
|
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）
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 24
WWR 3-(phenylmethyl)-1~{H}-imidazol-2-one × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.63 Å
R-free 0.200
|
|
8QUK
Hexameric HIV-1 CA in complex with DDD00100439
Deposited 2023-10-16
|
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）
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 12
WVU (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.38 Å
R-free 0.203
|
|
8QUL
Hexameric HIV-1 CA in complex with DDD00100555
Deposited 2023-10-16
|
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）
|
Not recorded
|
3IP 3-(BENZYLOXY)PYRIDIN-2-AMINE × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.67 Å
R-free 0.210
|
|
8QUW
Hexameric HIV-1 CA in complex with DDD01044153
Deposited 2023-10-17
|
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）
|
Not recorded
|
WZR (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one × 6
EDO 1,2-ETHANEDIOL × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 2.02 Å
R-free 0.230
|
|
8QUX
Hexameric HIV-1 CA in complex with DDD00100333
Deposited 2023-10-17
|
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）
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 12
S0I 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 2.30 Å
R-free 0.276
|
|
8QUY
Hexameric HIV-1 CA in complex with DDD01728501
Deposited 2023-10-17
|
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）
|
Not recorded
|
X0L 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione × 6
EDO 1,2-ETHANEDIOL × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.88 Å
R-free 0.215
|
|
8QV1
Hexameric HIV-1 CA in complex with DDD01728505
Deposited 2023-10-17
|
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）
|
Not recorded
|
X0H methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 2.20 Å
R-free 0.288
|
|
8QV4
Hexameric HIV-1 CA in complex with DDD01728503
Deposited 2023-10-17
|
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）
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 12
WZX ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 2.70 Å
R-free 0.303
|
|
8QV9
Hexameric HIV-1 CA in complex with DDD01829021
Deposited 2023-10-17
|
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）
|
Not recorded
|
WZL 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one × 6
EDO 1,2-ETHANEDIOL × 18
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 1.76 Å
R-free 0.246
|
|
8QVA
Hexameric HIV-1 CA in complex with DDD01829894
Deposited 2023-10-17
|
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）
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 12
WZ9 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN
|
Resolution 2.00 Å
R-free 0.254
|
|
8TY6
Disulfide-stabilized HIV-1 CA hexamer in complex with PQBP1 Nt
Deposited 2023-08-24
|
Different construct
Different mutation/modification
Different oligomeric state
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）
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
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å
|
|
8V17
HIV-CA Disulfide linked Hexamer with inhibitor bound - exploration of a benzothiazole
Deposited 2023-11-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–361（229 aa）
|
Mutation：A14C, E45C, W184A, M185A
|
Y4X N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide × 6
GOL GLYCEROL × 18
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；Morpheus Condition D11
|
Resolution 1.50 Å
R-free 0.171
|
|
8VRP
HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor
Deposited 2024-01-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain B
133–361（229 aa）
Chain C
133–361（229 aa）
|
Mutation：A14C, E45C, W184A, M185A
Mutation：A14C, E45C, W184A, M185A
|
A1ADQ N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide × 6
IOD IODIDE ION × 9
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；Morpheus condition B2
|
Resolution 1.80 Å
R-free 0.226
|
|
8VRP
HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor
Deposited 2024-01-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 6
PDB declaration: hexameric
|
Chain A
133–361（229 aa）
|
Mutation：A14C, E45C, W184A, M185A
|
A1ADQ N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide × 6
IOD IODIDE ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；Morpheus condition B2
|
Resolution 1.80 Å
R-free 0.226
|
|
9D6D
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles
Deposited 2024-08-14
|
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 × 18
PDB declaration: octadecameric
|
Chain A
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain B
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain C
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain D
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain E
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain F
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain G
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain H
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain I
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain J
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain K
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain L
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain M
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain N
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain O
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain P
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain Q
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain R
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
|
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
|
QNG Lenacapavir × 18
IHP INOSITOL HEXAKISPHOSPHATE × 7
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；This is the final buffer in which the enveloped viral like particle was resuspended. The Gag-CA-SP1 lattice is inside the viral like particle and thus not in the direct environment of this buffer.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.18 Å
|
|
9D6E
Gag CA-SP1 immature lattice bound with Bevirimat from enveloped virus like particles
Deposited 2024-08-14
|
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 × 18
PDB declaration: octadecameric
|
Chain A
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain B
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain C
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain D
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain E
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain F
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain G
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain H
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain I
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain J
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain K
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain L
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain M
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain N
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain O
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain P
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain Q
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain R
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
|
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
|
IHP INOSITOL HEXAKISPHOSPHATE × 1
2I4 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；This is the final buffer in which the enveloped viral like particle was resuspended. The Gag-CA-SP1 lattice is inside the viral like particle and thus not in the direct environment of this buffer.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.09 Å
|
|
9D88
Gag CA-SP1 immature lattice from enveloped and perforated virus like particles
Deposited 2024-08-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 18
PDB declaration: octadecameric
|
Chain A
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain B
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain C
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain D
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain E
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain F
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain G
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain H
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain I
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain J
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain K
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain L
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain M
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain N
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain O
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain P
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain Q
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
Chain R
143–371（229 aa）
Fragment：CA-SP1 domains (UNP residues 143-372)
|
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
Mutation：L231I
|
IHP INOSITOL HEXAKISPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；This is the final buffer in which the enveloped viral-like particle was resuspended. The Gag-CA-SP1 lattice is inside the virus-like particle and not directly in the buffer environment.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.18 Å
|
|
9EDZ
HIV CA - GLFG peptide (4 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
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）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4
10% PEG 4,000
|
Resolution 3.00 Å
R-free 0.267
|
|
9EDZ
HIV CA - GLFG peptide (4 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
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）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4
10% PEG 4,000
|
Resolution 3.00 Å
R-free 0.267
|
|
9EE0
HIV CA - GLFG peptide (9 mM)
Deposited 2024-11-18
|
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 × 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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.255
|
|
9EE0
HIV CA - GLFG peptide (9 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 12
PDB declaration: dodecameric
|
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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.255
|
|
9EE1
HIV CA - GLFG peptide (43 mM)
Deposited 2024-11-18
|
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 × 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）
|
Not recorded
|
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.00 Å
R-free 0.261
|
|
9EE1
HIV CA - GLFG peptide (43 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 12
PDB declaration: dodecameric
|
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）
|
Not recorded
|
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.00 Å
R-free 0.261
|
|
9EE2
HIV CA - FSFG peptide (14 mM)
Deposited 2024-11-18
|
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 × 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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 2.99 Å
R-free 0.253
|
|
9EE2
HIV CA - FSFG peptide (14 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
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）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 2.99 Å
R-free 0.253
|
|
9EE3
HIV CA - FG peptide (14 mM)
Deposited 2024-11-18
|
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 × 10
PDB declaration: decameric
|
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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.261
|
|
9EE3
HIV CA - FG peptide (14 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: nonameric
|
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）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.261
|
|
9EE4
HIV CA - FG peptide (34 mM)
Deposited 2024-11-18
|
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 × 11
PDB declaration: undecameric
|
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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.252
|
|
9EE4
HIV CA - FG peptide (34 mM)
Deposited 2024-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
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）
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；100 mM Hepes, pH 7.4,
10% PEG 4,000
|
Resolution 3.10 Å
R-free 0.252
|
|
9H1P
Mature HIV-1 matrix from MA-SP1 cleavage mutant
Deposited 2024-10-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 24
PDB declaration: 24-meric
|
Chain A
2–132（131 aa）
Chain B
433–448（16 aa）
Chain C
2–132（131 aa）
Chain D
433–448（16 aa）
Chain E
2–132（131 aa）
Chain F
433–448（16 aa）
Chain G
2–132（131 aa）
Chain H
433–448（16 aa）
Chain I
2–132（131 aa）
Chain J
433–448（16 aa）
Chain K
2–132（131 aa）
Chain L
433–448（16 aa）
Chain M
2–132（131 aa）
Chain N
433–448（16 aa）
Chain O
2–132（131 aa）
Chain P
433–448（16 aa）
Chain Q
2–132（131 aa）
Chain R
433–448（16 aa）
Chain S
2–132（131 aa）
Chain T
433–448（16 aa）
Chain U
2–132（131 aa）
Chain V
433–448（16 aa）
Chain W
2–132（131 aa）
Chain X
433–448（16 aa）
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；PBS
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å
|
|
9MNM
SPA of purified HIV-1 CA protein in vitro assembled with IP6 (mature morphology). 500 uM LEN was added post assembly.
Deposited 2024-12-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 24
PDB declaration: 24-meric
|
Chain A
133–363（231 aa）
Chain B
133–363（231 aa）
Chain C
133–363（231 aa）
Chain D
133–363（231 aa）
|
Not recorded
|
QNG Lenacapavir × 18
IHP INOSITOL HEXAKISPHOSPHATE × 12
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6.2；25 mM MES, 2mM TCEP, 500 uM LEN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å
|
|
9MNM
SPA of purified HIV-1 CA protein in vitro assembled with IP6 (mature morphology). 500 uM LEN was added post assembly.
Deposited 2024-12-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 4
PDB declaration: tetrameric
|
Chain A
133–363（231 aa）
Chain B
133–363（231 aa）
Chain C
133–363（231 aa）
Chain D
133–363（231 aa）
|
Not recorded
|
QNG Lenacapavir × 3
IHP INOSITOL HEXAKISPHOSPHATE × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6.2；25 mM MES, 2mM TCEP, 500 uM LEN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å
|
|
9MNM
SPA of purified HIV-1 CA protein in vitro assembled with IP6 (mature morphology). 500 uM LEN was added post assembly.
Deposited 2024-12-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein homooligomer
Homooligomer；Protein × 4
PDB declaration: tetrameric
|
Chain A
133–363（231 aa）
Chain B
133–363（231 aa）
Chain C
133–363（231 aa）
Chain D
133–363（231 aa）
|
Not recorded
|
QNG Lenacapavir × 3
IHP INOSITOL HEXAKISPHOSPHATE × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 6.2；25 mM MES, 2mM TCEP, 500 uM LEN
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å
|
|
9P9L
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles
Deposited 2025-06-24
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 18
PDB declaration: 18-meric
|
Chain A
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain B
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain C
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain D
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain E
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain F
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain G
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain H
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain I
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain J
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain K
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain L
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain M
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain N
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain O
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain P
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain Q
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain R
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
|
Not recorded
|
QNG Lenacapavir × 18
IHP INOSITOL HEXAKISPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；This is the final buffer in which the enveloped viral like particle was resuspended. The Gag-CA-SP1 lattice is inside the viral like particle and thus not in the direct environment of this buffer.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.28 Å
|
|
9P9M
CA-SP1 immature lattice assembled in vitro with inhibitor lenacapavir (dialyzed to 50nM)
Deposited 2025-06-24
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 18
PDB declaration: 18-meric
|
Chain A
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain B
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain C
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain D
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain E
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain F
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain G
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain H
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain I
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain J
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain K
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain L
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain M
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain N
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain O
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain P
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain Q
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
Chain R
143–371（229 aa）
Fragment：Capsid (CA) domain and Spacer Peptide 1 (SP1) region
|
Not recorded
|
QNG Lenacapavir × 18
IHP INOSITOL HEXAKISPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；the initial Lenacapavir concentration is 180uM and CA-SP1 is 90uM upon particle assembly; the assembled particle is then dialyzed in same buffer, but have final Lenacapavir concentration drop to 50nM.
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.93 Å
|
