UniProt F2WR52
Integrase (F2WR52)
Integrase (UniProt F2WR52), EC 2.7.7.-, 2.7.7.49: 22 experimental structures on GenesisL1, 10 ligands bound, 2 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- F2WR52
- Protein
- Integrase
- EC
- 2.7.7.-, 2.7.7.49
- Experimental structures
- 22
- Predicted models
- 0
- Ligands
- 10
- Pockets
- 2 · 0 records with a druggable one
Structures
22 records of F2WR52 in the MolNFT archive: 22 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4CIE | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CIE | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
| 6EB1 | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor… | x-ray diffraction | A | J3M | — |
| 6EB1 | HIV-1 integrase catalytic core domain complexed with allosteric inhibitor… | x-ray diffraction | A | J3M | — |
| 6EB2 | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor… | x-ray diffraction | A | J3P | — |
| 6EB2 | HIV-1 integrase catalytic core domain complexed with allosteric inhibitor… | x-ray diffraction | A | J3P | — |
| 6JCF | Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron | x-ray diffraction | A | — | — |
| 6JCF | Cryogenic structure of HIV-1 integrase catalytic core domain by synchrotron | x-ray diffraction | A | — | — |
| 6JCG | Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond… | x-ray diffraction | A | — | — |
| 6JCG | Room temperature structure of HIV-1 integrase catalytic core domain by serial femtosecond… | x-ray diffraction | A | — | — |
| 6NCJ | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives… | x-ray diffraction | A | KJJ, SO4 | — |
| 6NCJ | Structure of HIV-1 integrase with potent 5,6,7,8-tetrahydro-1,6- naphthyridine derivatives… | x-ray diffraction | A | KJJ, SO4 | — |
| 6NUJ | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436 | x-ray diffraction | A | L3D | — |
| 6NUJ | HIV-1 integrase catalytic core domain complexed with allosteric inhibitor bi-224436 | x-ray diffraction | A | L3D | — |
| 6WC8 | HIV Integrase core domain in complex with inhibitor… | x-ray diffraction | A | TQM, IOD, SO4 | 1 (best 0.39) |
| 6WC8 | HIV integrase core domain in complex with inhibitor 2-(5-(3… | x-ray diffraction | A | TQM, IOD, SO4 | — |
| 6WE7 | HIV Integrase core domain in complex with inhibitor… | x-ray diffraction | A | SO4, IOD, TXM | 1 (best 0.38) |
| 6WE7 | HIV integrase core domain in complex with inhibitor 3-methyl-2-{5… | x-ray diffraction | A | SO4, IOD, TXM | — |
| 7KE0 | HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404 | x-ray diffraction | A | WBV | — |
| 7KE0 | HIV-1 integrase catalytic core domain complexed with allosteric inhibitor STP03-0404 | x-ray diffraction | A | WBV | — |
| 8T52 | HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110 | x-ray diffraction | A | QD6 | — |
| 8T5A | HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404 | x-ray diffraction | A | WBV | — |
Ligands
- SO4 · Sulfate ion · in 6 records
- IOD · Iodide ion · in 4 records
- 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 · in 3 records
- J3M · (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid · in 2 records
- J3P · (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid · in 2 records
- KJJ · (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl) oxy]ethanoic acid · in 2 records
- L3D · (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid · in 2 records
- TQM · {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid · in 2 records
- TXM · (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid · in 2 records
- 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 · in 1 record
Elsewhere
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