UniProt P10415
Apoptosis regulator Bcl-2 (P10415)
Apoptosis regulator Bcl-2 (UniProt P10415): 60 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 29 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P10415
- Protein
- Apoptosis regulator Bcl-2
- Experimental structures
- 60
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 29 · 6 records with a druggable one
Structures
61 records of P10415 in the MolNFT archive: 60 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1G5M | Human BCL-2, isoform 1 | solution nmr | A | — | — |
| 1G5M | Human BCL-2, isoform 1 | solution nmr | A | — | — |
| 1GJH | Human BCL-2, isoform 2 | solution nmr | A | — | — |
| 1GJH | Human BCL-2, isoform 2 | solution nmr | A | — | — |
| 1YSW | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 1YSW | Solution structure of the anti-apoptotic protein BCL-2 complexed with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O21 | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O21 | Solution structure of the anti-apoptotic protein BCL-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O22 | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O22 | Solution structure of the anti-apoptotic protein BCL-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O2F | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2O2F | Solution structure of the anti-apoptotic protein BCL-2 in complex with an acyl-sulfonamide-based… | solution nmr | A | — | — |
| 2W3L | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | x-ray diffraction | A, B | — | — |
| 2W3L | Crystal structure of chimaeric BCL2-xl and phenyl tetrahydroisoquinoline amide complex | x-ray diffraction | A, B | — | — |
| 2XA0 | Crystal structure of BCL-2 in complex with a BAX BH3 peptide | x-ray diffraction | A, B | — | — |
| 2XA0 | Crystal structure of BCL-2 in complex with a bax BH3 peptide | x-ray diffraction | A, B | — | — |
| 4AQ3 | Human BCL-2 with phenylacylsulfonamide inhibitor | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4AQ3 | Human BCL-2 with phenylacylsulfonamide inhibitor | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4IEH | Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3… | x-ray diffraction | A | — | — |
| 4IEH | Crystal structure of human BCL-2 in complex with a small molecule inhibitor targeting BCL-2 BH3… | x-ray diffraction | A | — | — |
| 4LVT | Bcl_2-Navitoclax (ABT-263) Complex | x-ray diffraction | A, B | — | — |
| 4LVT | BCL_2-navitoclax (abt-263) complex | x-ray diffraction | A, B | — | — |
| 4LXD | Bcl_2-Navitoclax Analog (without Thiophenyl) Complex | x-ray diffraction | A | — | — |
| 4LXD | BCL_2-navitoclax analog (without thiophenyl) complex | x-ray diffraction | A | — | — |
| 4MAN | Bcl_2-Navitoclax Analog (with Indole) Complex | x-ray diffraction | A, B | — | — |
| 4MAN | BCL_2-navitoclax analog (with indole) complex | x-ray diffraction | A, B | — | — |
| 5AGW | Bcl-2 alpha beta-1 complex | x-ray diffraction | A, B | — | — |
| 5AGW | BCL-2 alpha beta-1 complex | x-ray diffraction | A, B | — | — |
| 5AGX | Bcl-2 alpha beta-1 LINEAR complex | x-ray diffraction | A, B | — | 6 (best 0.59) |
| 5AGX | BCL-2 alpha beta-1 linear complex | x-ray diffraction | A, B | — | — |
| 5JSN | Bcl2-inhibitor complex | x-ray diffraction | A, C | — | — |
| 5JSN | BCL2-inhibitor complex | x-ray diffraction | A, C | — | 4 (best 0.59) |
| 5VAU | BCL-2 complex with beclin 1 BH3 domain | x-ray diffraction | A, B, C, D | — | — |
| 5VAX | BCL-2 complex with beclin 1 BH3 domain | x-ray diffraction | A, B, C, D | — | — |
| 5VAY | BCL-2 complex with beclin 1 T108D BH3 domain | x-ray diffraction | A, B, C, D | — | — |
| 6GL8 | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | x-ray diffraction | A | F3Q | — |
| 6GL8 | Crystal structure of BCL-2 in complex with the novel orally active inhibitor S55746 | x-ray diffraction | A | F3Q | — |
| 6IWB | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | x-ray diffraction | B, D | — | — |
| 6O0K | crystal structure of BCL-2 with venetoclax | x-ray diffraction | A | LBM | 1 (best 0.48) |
| 6O0K | Crystal structure of BCL-2 with venetoclax | x-ray diffraction | A | LBM | — |
| 6O0L | crystal structure of BCL-2 G101V mutation with venetoclax | x-ray diffraction | A, C | LBM, CL | 3 (best 0.47) |
| 6O0L | Crystal structure of BCL-2 G101V mutation with venetoclax | x-ray diffraction | A, C | LBM, CL | — |
| 6O0M | Crystal structure of BCL-2 F104L mutation with venetoclax | x-ray diffraction | A | LBM | — |
| 6O0O | crystal structure of BCL-2 G101V mutation with S55746 | x-ray diffraction | A, C | F3Q | — |
| 6O0O | Crystal structure of BCL-2 G101V mutation with S55746 | x-ray diffraction | A, C | F3Q | — |
| 6O0P | crystal structure of BCL-2 G101A mutation with venetoclax | x-ray diffraction | A | LBM | 1 (best 0.50) |
| 6O0P | Crystal structure of BCL-2 G101A mutation with venetoclax | x-ray diffraction | A | LBM | — |
| 6QG8 | Structure of human Bcl-2 in complex with PUMA BH3 peptide | x-ray diffraction | A | — | 1 (best 0.47) |
| 6QG8 | Structure of human BCL-2 in complex with puma BH3 peptide | x-ray diffraction | A | — | — |
| 6QGG | Structure of human Bcl-2 in complex with analogue of ABT-737 | x-ray diffraction | A | J1H | — |
| 6QGG | Structure of human BCL-2 in complex with analogue of abt-737 | x-ray diffraction | A | J1H | — |
| 6QGH | Structure of human Bcl-2 in complex with ABT-263 | x-ray diffraction | A | 1XJ | 1 (best 0.60) |
| 6QGH | Structure of human BCL-2 in complex with abt-263 | x-ray diffraction | A | 1XJ | — |
| 6QGJ | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | x-ray diffraction | A | J1T | 2 (best 0.50) |
| 6QGJ | Structure of human BCL-2 in complex with FRAGMENT/ABT-263 hybrid | x-ray diffraction | A | J1T | — |
| 6QGK | Structure of human BCL-2 in complex with thiq-phenyl pyrazole compound | x-ray diffraction | A | J1Q | — |
| 7LHB | Crystal structure of BCL-2 in complex with prodrug abbv-167 | x-ray diffraction | A, B, C | XZD | — |
| 8FY2 | E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) | x-ray diffraction | D | YFH | 1 (best 0.46) |
| 8U27 | Bcl-2-xL complexed with compound 35 | solution nmr | A | ULL | 4 (best 0.62) |
| 8VWZ | Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 | x-ray diffraction | A | F3Q | 5 (best 0.76) |
1 record more on the page itself.
Ligands
- LBM · 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide · in 7 records
- F3Q · ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7, 8-tetrahydroindolizine-1-carboxamide · in 5 records
- 1XJ · 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide · in 2 records
- CL · Chloride ion · in 2 records
- J1H · [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl) phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium · in 2 records
- J1T · 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide · in 2 records
- J1Q · 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide · in 1 record
- ULL · propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate · in 1 record
- XZD · Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester · in 1 record
- YFH · N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide · in 1 record
Experiment against prediction
- 6QG8 chain A against the predicted model P10415: TM-score 0.98, RMSD 0.64 Å
- 6QG8 chain A against the predicted model P10415: TM-score 0.98, RMSD 0.64 Å
- 4AQ3 chain E against the predicted model P10415: TM-score 0.98, RMSD 0.63 Å
- 4AQ3 chain E against the predicted model P10415: TM-score 0.98, RMSD 0.63 Å
- 4AQ3 chain B against the predicted model P10415: TM-score 0.98, RMSD 0.61 Å
- 4AQ3 chain B against the predicted model P10415: TM-score 0.98, RMSD 0.61 Å
- 4AQ3 chain F against the predicted model P10415: TM-score 0.98, RMSD 0.63 Å
- 4AQ3 chain F against the predicted model P10415: TM-score 0.98, RMSD 0.63 Å
- 8FY2 chain D against the predicted model P10415: TM-score 0.98, RMSD 0.63 Å
- 4AQ3 chain D against the predicted model P10415: TM-score 0.98, RMSD 0.64 Å
Elsewhere
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