UniProt P98170
E3 ubiquitin-protein ligase XIAP (P98170)
E3 ubiquitin-protein ligase XIAP (UniProt P98170), EC 2.3.2.27, 6.3.2.-: 132 experimental structures on GenesisL1, 14 ligands bound, 5 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P98170
- Protein
- E3 ubiquitin-protein ligase XIAP
- EC
- 2.3.2.27, 6.3.2.-
- Experimental structures
- 132
- Predicted models
- 0
- Ligands
- 14
- Pockets
- 5 · 2 records with a druggable one
Structures
132 records of P98170 in the MolNFT archive: 132 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1C9Q | Average NMR solution structure of the bir-2 domain of xiap | solution nmr | A | — | — |
| 1C9Q | Average NMR solution structure of the bir-2 domain of xiap | solution nmr | A | — | — |
| 1F9X | Average NMR solution structure of the bir-3 domain of xiap | solution nmr | A | — | — |
| 1F9X | Average NMR solution structure of the bir-3 domain of xiap | solution nmr | A | — | — |
| 1G3F | NMR structure of a 9 residue peptide from SMAC/DIABLO complexed to the BIR3 domain of xiap | solution nmr | A | — | — |
| 1G3F | NMR structure of a 9 residue peptide from SMAC/DIABLO complexed to the BIR3 domain of xiap | solution nmr | A | — | — |
| 1G73 | Crystal structure of smac bound to xiap-BIR3 domain | x-ray diffraction | C, D | — | — |
| 1G73 | Crystal structure of smac bound to xiap-BIR3 domain | x-ray diffraction | C, D | — | — |
| 1I3O | Crystal structure of the complex of xiap-BIR2 and caspase 3 | x-ray diffraction | E, F | — | — |
| 1I3O | Crystal structure of the complex of xiap-BIR2 and caspase 3 | x-ray diffraction | E, F | — | — |
| 1I4O | Crystal structure of the XIAP/CASPASE-7 complex | x-ray diffraction | C, D | — | — |
| 1I4O | Crystal structure of the XIAP/CASPASE-7 complex | x-ray diffraction | C, D | — | — |
| 1I51 | Crystal structure of caspase-7 complexed with xiap | x-ray diffraction | E, F | — | — |
| 1I51 | Crystal structure of caspase-7 complexed with xiap | x-ray diffraction | E, F | — | — |
| 1KMC | Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex | x-ray diffraction | C, D | — | — |
| 1KMC | Crystal structure of the caspase-7 / xiap-BIR2 complex | x-ray diffraction | C, D | — | — |
| 1NW9 | Structure of caspase-9 in an inhibitory complex with xiap-BIR3 | x-ray diffraction | A | — | — |
| 1NW9 | Structure of caspase-9 in an inhibitory complex with xiap-BIR3 | x-ray diffraction | A | — | — |
| 1TFQ | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of… | solution nmr | A | — | — |
| 1TFQ | NMR structure of an antagonists of the xiap-caspase-9 interaction complexed to the BIR3 domain of… | solution nmr | A | — | — |
| 1TFT | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of… | solution nmr | A | — | — |
| 1TFT | NMR structure of an antagonists of the xiap-caspase-9 interaction complexed to the BIR3 domain of… | solution nmr | A | — | — |
| 2ECG | Solution structure of the ring domain of the Baculoviral IAP repeat-containing protein 4 from Homo… | solution nmr | A | — | — |
| 2ECG | Solution structure of the ring domain of the baculoviral iap repeat- containing protein 4 from homo… | solution nmr | A | — | — |
| 2JK7 | XIAP BIR3 bound to a Smac Mimetic | x-ray diffraction | A | — | — |
| 2JK7 | Xiap BIR3 bound to a smac mimetic | x-ray diffraction | A | — | — |
| 2KNA | Solution structure of UBA domain of XIAP | solution nmr | A | — | — |
| 2KNA | Solution structure of uba domain of xiap | solution nmr | A | — | — |
| 2OPY | Smac mimic bound to BIR3-XIAP | x-ray diffraction | A | — | — |
| 2OPY | Smac mimic bound to BIR3-xiap | x-ray diffraction | A | — | — |
| 2OPZ | AVPF bound to BIR3-XIAP | x-ray diffraction | A, B, C, D | — | — |
| 2OPZ | Avpf bound to BIR3-xiap | x-ray diffraction | A, B, C, D | — | — |
| 2POI | Crystal structure of XIAP BIR1 domain (I222 form) | x-ray diffraction | A | — | — |
| 2POI | Crystal structure of xiap BIR1 domain (I222 form) | x-ray diffraction | A | — | — |
| 2POP | The Crystal Structure of TAB1 and BIR1 complex | x-ray diffraction | B, D | — | — |
| 2POP | The crystal structure of TAB1 and BIR1 complex | x-ray diffraction | B, D | — | — |
| 2QRA | Crystal structure of XIAP BIR1 domain (P21 form) | x-ray diffraction | D, C, B, A | — | — |
| 2QRA | Crystal structure of xiap BIR1 domain (P21 form) | x-ray diffraction | D, C, B, A | — | — |
| 2VSL | Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic | x-ray diffraction | A | — | — |
| 2VSL | Crystal structure of xiap BIR3 with a bivalent smac mimetic | x-ray diffraction | A | — | — |
| 3CLX | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005 | x-ray diffraction | D, A, B, C | — | — |
| 3CLX | Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound, SMAC005 | x-ray diffraction | D, A, B, C | — | — |
| 3CM2 | Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010 | x-ray diffraction | D, A, B, C, E, F, G, H, I, J | — | — |
| 3CM2 | Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound, SMAC010 | x-ray diffraction | D, A, B, C, E, F, G, H, I, J | — | — |
| 3CM7 | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | x-ray diffraction | C, A, B, D | — | — |
| 3CM7 | Crystal structure of xiap-BIR3 domain in complex with smac- mimetic compuond, SMAC005 | x-ray diffraction | C, A, B, D | — | — |
| 3EYL | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound | x-ray diffraction | A, B | — | — |
| 3EYL | Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound | x-ray diffraction | A, B | — | — |
| 3G76 | Crystal structure of XIAP-BIR3 in complex with a bivalent compound | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3G76 | Crystal structure of xiap-BIR3 in complex with a bivalent compound | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3HL5 | Crystal structure of XIAP BIR3 with CS3 | x-ray diffraction | A, B | — | — |
| 3HL5 | Crystal structure of xiap BIR3 with CS3 | x-ray diffraction | A, B | — | — |
| 3UW4 | Crystal structure of cIAP1 BIR3 bound to GDC0152 | x-ray diffraction | A | — | — |
| 3UW4 | Crystal structure of CIAP1 BIR3 bound to GDC0152 | x-ray diffraction | A | — | — |
| 3UW5 | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | x-ray diffraction | A, B | — | — |
| 3UW5 | Crystal structure of the bir domain of mliap bound to GDC0152 | x-ray diffraction | A, B | — | — |
| 4EC4 | XIAP-BIR3 in complex with a potent divalent Smac mimetic | x-ray diffraction | A, B, C, D, E, J, F, G, K, L | — | — |
| 4EC4 | Xiap-BIR3 in complex with a potent divalent smac mimetic | x-ray diffraction | A, B, C, D, E, J, F, G, K, L | — | — |
| 4HY0 | Crystal structure of XIAP BIR3 with T3256336 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 4HY0 | Crystal structure of xiap BIR3 with T3256336 | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
72 records more on the page itself.
Ligands
- ZN · Zinc ion · in 25 records
- NA · Sodium ion · in 14 records
- 7H8 · 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one · in 2 records
- 7HT · 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone · in 2 records
- 7HU · 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone · in 2 records
- 7J6 · 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone · in 2 records
- A4E · 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R}, 5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone · in 2 records
- F2H · 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl) carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]n aphthalene-1,5-disulfonate · in 2 records
- FUE · 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one · in 2 records
- FUK · 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3, 3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone · in 2 records
- 4YD · (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium · in 1 record
- 4YE · (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium · in 1 record
- 4YL · (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium · in 1 record
- 7H9 · 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone · in 1 record
Experiment against prediction
- 3UW5 chain B against the predicted model Q96CA5: TM-score 0.97, RMSD 0.64 Å
- 3UW5 chain B against the predicted model Q96CA5: TM-score 0.97, RMSD 0.64 Å
- 3UW4 chain A against the predicted model Q13490: TM-score 0.96, RMSD 0.74 Å
- 3UW4 chain A against the predicted model Q13490: TM-score 0.96, RMSD 0.74 Å
- 3UW5 chain A against the predicted model Q96CA5: TM-score 0.94, RMSD 1.31 Å
- 3UW5 chain A against the predicted model Q96CA5: TM-score 0.94, RMSD 1.31 Å
Elsewhere
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