Apoptosis regulator Bcl-X
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 1–211 | Fragment：Bcl-XL Mutation：F146L | No other associated polymer | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；1.9M Ammonium Sulfate, 50mM Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | Resolution 2.00 Å R-free 0.235 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 1R2I | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1BXL STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1996-10-16 | 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 A
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
303 K
|
Resolution not provided |
| 1G5J COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD Deposited 2000-11-01 | 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 A
1–44（44 aa）
Fragment：RESIDUES 1-209
Chain A
85–209（125 aa）
Fragment：RESIDUES 1-209
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 40 mM sodium phosphate；Pressure ambient
NMR sample composition
15N-Bcl-xL/unlabeled Bad peptide; 15N,13C-Bcl-xL/unlabelled Bad peptide | H2O; D2O
|
Resolution not provided |
| 1G5M HUMAN BCL-2, ISOFORM 1 Deposited 2000-11-01 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.8；298 K；Ionic strength (raw mmCIF value) 20 mM；Pressure ambient
NMR sample composition
15N-Bcl-2(1); 15N,13C-BCL-2(1) | H2O
NMR sample composition
15N,13C-Bcl-2(1) | D2O
|
Resolution not provided |
| 1GJH HUMAN BCL-2, ISOFORM 2 Deposited 2001-05-31 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.8；298 K；Ionic strength (raw mmCIF value) 20 mM；Pressure AMBIENT
NMR sample composition
15N-Bcl-2(2); 15N,13C-BCL-2(2) | H2O
NMR sample composition
15N, 13C-Bcl-2(2) | D2O
|
Resolution not provided |
| 1LXL NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE Deposited 1996-04-04 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Fragment：RESIDUES 1-209, LACKING THE C-TERMINAL HYDROPHOBIC REGION
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.3；303 K
|
Resolution not provided |
| 1MAZ X-RAY STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH Deposited 1996-04-09 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Fragment：RESIDUES 1-209
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.259 |
| 1R2D Structure of Human Bcl-XL at 1.95 Angstroms Deposited 2003-09-26 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–211（211 aa）
Fragment：Bcl-XL
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；1.9M Ammonium Sulfate, 50mM Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.217 |
| 1R2E Human Bcl-XL containing a Glu to Leu mutation at position 92 Deposited 2003-09-26 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–211（211 aa）
Fragment：Bcl-XL
|
Mutation：E92L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；1.9M Ammonium Sulfate, 50mM Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.239 |
| 1R2G Human Bcl-XL containing a Phe to Trp mutation at position 97 Deposited 2003-09-26 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–211（211 aa）
Fragment：Bcl-XL
|
Mutation：F97W | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；1.9M Ammonium Sulfate, 50mM Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.230 |
| 1R2H Human Bcl-XL containing an Ala to Leu mutation at position 142 Deposited 2003-09-26 | Different mutation/modification Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–211（211 aa）
Fragment：Bcl-XL
|
Mutation：A142L | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；1.9M Ammonium Sulfate, 50mM Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.234 |
| 1YSG Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands Deposited 2005-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | 4FC 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID × 1 TN1 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM；Pressure ambient
NMR sample composition
1 mM Bcl-xL U-15N,13C; 50 mM sodium phosphate, 5 mM deuterated dithiothreitol, 100% D2O | 100% D2O
|
Resolution not provided |
| 1YSI Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand Deposited 2005-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | N3B N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM；Pressure ambient
NMR sample composition
1mM Bcl-xL U-15N,13C 50mM sodium phosphate, 5 mM deuterated Dithiothreitol, 100% D2O | 100% D2O
|
Resolution not provided |
| 1YSN Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand Deposited 2005-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | 43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM；Pressure ambient
NMR sample composition
1 mM Bcl-xL U-15N,13C, 50 mM sodium phosphate, 5 mM deuterated dithiothreitol, 100% D2O | 100% D2O
|
Resolution not provided |
| 2B48 Bcl-XL 3D Domain Swapped Dimer Deposited 2005-09-22 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–211（211 aa）
Fragment：residues 1-211
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；277 K；100mM Na/K Phosphate, 42% 2-Methyl-2,4 Pentanediol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.45 Å R-free 0.305 |
| 2LP8 SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL Deposited 2012-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | 33B 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7.3；298 K；Ionic strength (raw mmCIF value) 50；Pressure AMBIENT
NMR sample composition
1 MM [U-98% 13C U-98% 15N] BCL- XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 5 MM 2- MERCAPTOETHANOL, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 MM [U-98% 13C U-98% 15N] BCL- XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
1 MM [U-98% 13C U-98% 15N] BCL-XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 100% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2LPC NMR STRUCTURE of Bcl-XL Deposited 2012-02-09 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.3；298 K；Ionic strength (raw mmCIF value) 5；Pressure AMBIENT
NMR sample composition
1.5 - 1.7 mM [U-98% 13C; U-98% 15N] BCL-XL, 5 mM sodium phosphate, 5 mM 2-mercaptoethanol, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2M03 Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains Deposited 2012-10-19 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
|
Mutation：delta(45-84) | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298.1 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition
0.9 mM [U-100% 13C; U-100% 15N; U-95% 2H; Ile,Leu,Val C1H3] BCL-xL, 92% H2O/8% D2O | 92% H2O/8% D2O
|
Resolution not provided |
| 2M04 Solution structure of BCL-xL in complex with PUMA BH3 peptide Deposited 2012-10-19 | 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 A
1–209（209 aa）
|
Mutation：delta(45-84) | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298.1 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition
0.9 mM [U-100% 13C; U-100% 15N; U-95% 2H; Ile,Leu,Val C1H3] BCL-xL, 0.9 mM PUMA BH3, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition
0.9 mM [U-100% 13C; U-100% 15N] BCL-xL, 0.9 mM PUMA BH3, 92% H2O/8% D2O | 92% H2O/8% D2O
|
Resolution not provided |
| 2ME8 Solution Structure of BCL-xL in its p53-bound conformation determined with selective isotope labelling of I,L,V sidechains Deposited 2013-09-25 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition
0.6 mM [U- 98% 13C; U- 98% 15N; U- 98% 2H; U- I,LV CH3 1H] BCL-xL, 0.65 mM p53, 93% H2O/7% D2O | 93% H2O/7% D2O
|
Resolution not provided |
| 2ME9 Solution structure of BCL-xL containing the alpha1-alpha2 disordered loop determined with selective isotope labelling of I,L,V sidechains Deposited 2013-09-25 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition
0.6 mM [U- 98% 13C; U- 98% 15N; U- 98% 2H; U- I,LV CH3 1H] BCL-xL, 93% H2O/7% D2O | 93% H2O/7% D2O
|
Resolution not provided |
| 2MEJ Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints Deposited 2013-09-25 | 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 × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209
|
Not recorded | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition
0.6 mM [U-98% 13C; U-98% 15N; U-98% 2H] p53, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] BCL-xL, 0.1 mM p53, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.6 mM [U-98% 13C; U-98% 15N; U-98% 2H] p53, 0.65 mM BCL-xL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S122C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S122C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S2C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S2C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
0.1 mM [U-98% 15N; U-98% 2H] BCL-xL, 0.1 mM Co_p53, 93% H2O/7% D2O | 93% H2O/7% D2O
|
Resolution not provided |
| 2O1Y Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Chain A
85–209（125 aa）
|
Not recorded | 43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM sodium phosphate；Pressure 1
NMR sample composition
50mM sodium phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2O21 Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | 43B 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 8；298 K；Ionic strength (raw mmCIF value) 25 mM TRIS; 150 mM sodium chloride；Pressure 1
NMR sample composition
25mM TRIS buffer; 150 mM sodium chloride; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2O22 Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | LIU N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide × 1 |
SOLUTION NMR
NMR measurement conditions
pH 8；298 K；Ionic strength (raw mmCIF value) 25 mM TRIS; 150 mM sodium chloride；Pressure 1
NMR sample composition
25 mM TRIS buffer; 150 mM sodium chloride; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2O2M Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–23（22 aa）
Chain A
83–196（114 aa）
|
Not recorded | LI0 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM sodium phosphate；Pressure 1
NMR sample composition
50mM sodium phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2O2N Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–23（22 aa）
Chain A
83–196（114 aa）
|
Not recorded | LIW 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50 mM sodium phosphate；Pressure 1
NMR sample composition
50mM sodium phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain A
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain C
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain E
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain G
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric |
Chain A
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain A
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
Chain C
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain C
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
Chain E
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain E
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
Chain G
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain G
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain E
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
Chain G
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain G
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2P1L Structure of the Bcl-XL:Beclin 1 complex Deposited 2007-03-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain A
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
Chain C
1–26（26 aa）
Fragment：Bcl-XL Delta-loop
Chain C
83–209（127 aa）
Fragment：Bcl-XL Delta-loop
|
Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant Mutation：Loop 27-82 deletion mutant | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；24% (w/v) PEG-400, 0.1M HEPES pH7.5, 0.2M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.262 |
| 2PON Solution structure of the Bcl-xL/Beclin-1 complex Deposited 2007-04-27 | 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 B
1–44（44 aa）
Fragment：deletion of 45-84
Chain B
85–196（112 aa）
Fragment：deletion of 45-84
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；303 K；Ionic strength (raw mmCIF value) 50mM potassium phosphate；Pressure 1
NMR sample composition
1.5mM unlabelled Bcl-xL/Beclin-1 complex in 99.9% D2O; 50mM potassium phosphate | 99.9% D2O
NMR sample composition
1.5mM uniformly 15N labelled Bcl-xL/Beclin-1 complex in 90% H2O/10% D2O; 50mM potassium phosphate | 90% H2O/10% D2O
NMR sample composition
1.5mM uniformly 15N/13C labelled Bcl-xL/Beclin-1 complex in 99.9% D2O; 50mM potassium phosphate | 99.9% D2O
NMR sample composition
1.5mM 80% deuterated, uniformly 15N/13C labelled Bcl-xL/Beclin-1 complex in 90% H2O/10% D2O; 50mM potassium phosphate | 90% H2O/10% D2O
NMR sample composition
1.5mM 100% deuterated, uniformly 15N labelled Bcl-xL/Beclin-1 complex in 90% H2O/10% D2O; 50mM potassium phosphate | 90% H2O/10% D2O
|
Resolution not provided |
| 2YJ1 Puma BH3 foldamer in complex with Bcl-xL Deposited 2011-05-18 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain C
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain C
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.05 M CADMIUM SULPHATE 1.0 M SODIUM ACETATE 0.1 M HEPES PH 7.5.
|
Resolution 2.24 Å R-free 0.253 |
| 2YQ6 Structure of Bcl-xL bound to BimSAHB Deposited 2012-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | GOL GLYCEROL × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
15 % (W/V) PEG 400, 5 % PEG 3000, 10 % GLYCEROL AND 0.1 M MES PH 6.5.
|
Resolution 1.80 Å R-free 0.201 |
| 2YQ7 Structure of Bcl-xL bound to BimLOCK Deposited 2012-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
15 % (W/V) PEG 400, 5 % PEG 3000, 10 % GLYCEROL AND 0.1 M MES PH 6.5.
|
Resolution 1.90 Å R-free 0.208 |
| 2YXJ Crystal structure of Bcl-xL in complex with ABT-737 Deposited 2007-04-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Fragment：Bcl-xL
Chain A
85–209（125 aa）
Fragment：Bcl-xL
|
Not recorded | CL CHLORIDE ION × 1 N3C 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.85M Sodium Citrate, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.20 Å R-free 0.249 |
| 2YXJ Crystal structure of Bcl-xL in complex with ABT-737 Deposited 2007-04-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–44（44 aa）
Fragment：Bcl-xL
Chain B
85–209（125 aa）
Fragment：Bcl-xL
|
Not recorded | N3C 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.85M Sodium Citrate, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.20 Å R-free 0.249 |
| 3CVA Human Bcl-xL containing a Trp to Ala mutation at position 137 Deposited 2008-04-18 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain X
1–211（211 aa）
Fragment：residues in database 1-211
|
Mutation：W137A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；1.9M ammonium sulfate, 50mM MES, pH 5.8, vapor diffusion, hanging drop, temperature 277K
|
Resolution 2.70 Å R-free 0.307 |
| 3FDL Bim BH3 peptide in complex with Bcl-xL Deposited 2008-11-26 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain A
83–209（127 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1M Sodium citrate, 0.1M Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.78 Å R-free 0.208 |
| 3FDL Bim BH3 peptide in complex with Bcl-xL Deposited 2008-11-26 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain A
83–209（127 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；1M Sodium citrate, 0.1M Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.78 Å R-free 0.208 |
| 3FDM alpha/beta foldamer in complex with Bcl-xL Deposited 2008-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain A
83–209（127 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain B
1–26（26 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain B
83–209（127 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
|
Not recorded | EDO 1,2-ETHANEDIOL × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 3350, 0.2M Lithium Nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.26 Å R-free 0.235 |
| 3FDM alpha/beta foldamer in complex with Bcl-xL Deposited 2008-11-26 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–26（26 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
Chain C
83–209（127 aa）
Fragment：residue 1-209, Deletion of amino acids 27 to 82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；20% (w/v) PEG 3350, 0.2M Lithium Nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.26 Å R-free 0.235 |
| 3INQ Crystal structure of BCL-XL in complex with W1191542 Deposited 2009-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：residues 1-209
Chain A
83–209（127 aa）
Fragment：residues 1-209
Chain B
1–26（26 aa）
Fragment：residues 1-209
Chain B
83–209（127 aa）
Fragment：residues 1-209
|
Mutation：DELETION OF AMINO ACIDS 27 TO 82 Mutation：DELETION OF AMINO ACIDS 27 TO 82 Mutation：DELETION OF AMINO ACIDS 27 TO 82 Mutation：DELETION OF AMINO ACIDS 27 TO 82 | X0J 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide × 2 EDO 1,2-ETHANEDIOL × 11 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；0.2M Calcium Acetate, 10%(w/v) PEG8000, 0.1M Imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
Resolution 2.00 Å R-free 0.250 |
| 3IO8 BimL12F in complex with Bcl-xL Deposited 2009-08-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：residues 1-26, and residues 83-209
Chain A
83–209（127 aa）
Fragment：residues 1-26, and residues 83-209
|
Not recorded | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.02M Zinc Acetate
2.5M Sodium Chloride
0.1M Imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.231 |
| 3IO8 BimL12F in complex with Bcl-xL Deposited 2009-08-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Fragment：residues 1-26, and residues 83-209
Chain C
83–209（127 aa）
Fragment：residues 1-26, and residues 83-209
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.02M Zinc Acetate
2.5M Sodium Chloride
0.1M Imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.231 |
| 3PL7 Crystal structure of Bcl-xL in complex with the BaxBH3 domain Deposited 2010-11-14 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
Fragment：Bcl-xL, UNP residues 1-209
|
Mutation：deletion of residues 45-84 | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；293 K；13% Peg 6000, 0.2M CaCl2, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.61 Å R-free 0.249 |
| 3PL7 Crystal structure of Bcl-xL in complex with the BaxBH3 domain Deposited 2010-11-14 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–209（209 aa）
Fragment：Bcl-xL, UNP residues 1-209
|
Mutation：deletion of residues 45-84 | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；293 K；13% Peg 6000, 0.2M CaCl2, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.61 Å R-free 0.249 |
| 3QKD Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor Deposited 2011-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
|
Not recorded | HI0 (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.1M Sodium Citrate, 0.1M Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.02 Å R-free 0.231 |
| 3QKD Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor Deposited 2011-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–209（209 aa）
|
Not recorded | HI0 (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.1M Sodium Citrate, 0.1M Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.02 Å R-free 0.231 |
| 3R85 Crystal structure of human SOUL BH3 domain in complex with Bcl-xL Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
Chain A
83–197（115 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M sodium sulphate, 15% PEG 6000, 0.3M 1-butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.95 Å R-free 0.263 |
| 3R85 Crystal structure of human SOUL BH3 domain in complex with Bcl-xL Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–26（26 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
Chain B
83–197（115 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M sodium sulphate, 15% PEG 6000, 0.3M 1-butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.95 Å R-free 0.263 |
| 3R85 Crystal structure of human SOUL BH3 domain in complex with Bcl-xL Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
Chain C
83–197（115 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M sodium sulphate, 15% PEG 6000, 0.3M 1-butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.95 Å R-free 0.263 |
| 3R85 Crystal structure of human SOUL BH3 domain in complex with Bcl-xL Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1–26（26 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
Chain D
83–197（115 aa）
Fragment：residues 1-209 with the deletion of residues 27-82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M sodium sulphate, 15% PEG 6000, 0.3M 1-butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.95 Å R-free 0.263 |
| 3SP7 Crystal Structure of Bcl-xL bound to BM903 Deposited 2011-07-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Fragment：SEE REMARK 999
Chain A
85–209（125 aa）
Fragment：SEE REMARK 999
|
Not recorded | 03B 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid × 1 ZN ZINC ION × 4 ACT ACETATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.5；293 K；4% PEG3000, 0.6 M zinc acetate, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, temperature 293K
|
Resolution 1.40 Å R-free 0.185 |
| 3SPF Crystal Structure of Bcl-xL bound to BM501 Deposited 2011-07-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Fragment：SEE REMARK 999
Chain A
85–209（125 aa）
Fragment：SEE REMARK 999
|
Not recorded | B50 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide × 1 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 9；293 K；1.2 M sodium citrate, 25 mM CHES, pH 9.0, VAPOR DIFFUSION, temperature 293K
|
Resolution 1.70 Å R-free 0.204 |
| 3WIZ Crystal structure of Bcl-xL in complex with compound 10 Deposited 2013-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–44（44 aa）
Fragment：UNP RESIDUES 1-44, 85-209
Chain A
85–209（125 aa）
Fragment：UNP RESIDUES 1-44, 85-209
Chain B
1–44（44 aa）
Fragment：UNP RESIDUES 1-44, 85-209
Chain B
85–209（125 aa）
Fragment：UNP RESIDUES 1-44, 85-209
|
Not recorded | LC6 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid × 2 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Na-K phosphate pH 6.5, 0.72M sodium malonate, 0.84% MEGA-8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.45 Å R-free 0.238 |
| 3ZK6 Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). Deposited 2013-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–40（40 aa）
Fragment：RESIDUES 1-40 AND 81-209
Chain A
81–209（129 aa）
Fragment：RESIDUES 1-40 AND 81-209
|
Not recorded | H1I N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
2.2 M (NH4)2 SO4, 0.1 M BIS TRIS, PH 5.5
|
Resolution 2.48 Å R-free 0.261 |
| 3ZK6 Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). Deposited 2013-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–40（40 aa）
Fragment：RESIDUES 1-40 AND 81-209
Chain B
81–209（129 aa）
Fragment：RESIDUES 1-40 AND 81-209
|
Not recorded | H1I N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
2.2 M (NH4)2 SO4, 0.1 M BIS TRIS, PH 5.5
|
Resolution 2.48 Å R-free 0.261 |
| 3ZLN Crystal structure of BCL-XL in complex with inhibitor (Compound 3) Deposited 2013-02-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Fragment：RESIDUES 1-44 AND 85-209
Chain A
85–209（125 aa）
Fragment：RESIDUES 1-44 AND 85-209
|
Not recorded | H0Y 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；1.8 M (NH4)2 SO4, 40 MM MG2 SO4, 10 MM TRIS PH 8.0
|
Resolution 2.29 Å R-free 0.246 |
| 3ZLO Crystal structure of BCL-XL in complex with inhibitor (Compound 6) Deposited 2013-02-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–44（44 aa）
Fragment：RESIDUES 1-44 AND 85-209
Chain A
85–209（125 aa）
Fragment：RESIDUES 1-44 AND 85-209
|
Not recorded | X8U 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；2 M (NH4)2SO4, 0.5 M GUANADINE HCL, 0.1 M MES PH 6.0
|
Resolution 2.60 Å R-free 0.282 |
| 3ZLR Crystal structure of BCL-XL in complex with inhibitor (WEHI-539) Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | X0B 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；1.6 M (NH4)2 SO4, 100 MM MES PH 5.5
|
Resolution 2.03 Å R-free 0.208 |
| 4A1U Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL Deposited 2011-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；1.5 M AMMONIUM SULPHATE, 0.1 M TRIS PH 8.5, 12% (V/V) GLYCEROL
|
Resolution 1.54 Å R-free 0.198 |
| 4A1W Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL Deposited 2011-09-20 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain D
1–26（26 aa）
Chain D
83–209（127 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；25% (W/V) PEG 3350, 0.2 M LITHIUM SULFATE, 0.1 M HEPES PH 7.5.
|
Resolution 2.50 Å R-free 0.264 |
| 4A1W Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL Deposited 2011-09-20 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
Chain C
1–26（26 aa）
Chain C
83–209（127 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；25% (W/V) PEG 3350, 0.2 M LITHIUM SULFATE, 0.1 M HEPES PH 7.5.
|
Resolution 2.50 Å R-free 0.264 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
29–44（16 aa）
Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
|
Not recorded | 398 N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.245 |
| 4BPK Bcl-xL bound to alpha beta Puma BH3 peptide 5 Deposited 2013-05-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | CD CADMIUM ION × 15 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1M HEPES, PH7.5 1M SODIUM ACETATE 50MM CADMIUM SULPHATE
|
Resolution 1.76 Å R-free 0.252 |
| 4C52 Crystal structure of Bcl-xL in complex with benzoylurea compound (39b) Deposited 2013-09-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | X0D (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID × 2 SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；1.4 M (NH4)2SO4, 0.1 M MES PH 6.5, 25% (V/V) ETHYLENE GLYCOL
|
Resolution 2.05 Å R-free 0.216 |
| 4C5D Crystal structure of Bcl-xL in complex with benzoylurea compound (42) Deposited 2013-09-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
|
Not recorded | X0R (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID × 4 SO4 SULFATE ION × 12 EDO 1,2-ETHANEDIOL × 20 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；1.1 M (NH4)2SO4, 0.1 M MES PH 6.5, 25% (V/V) ETHYLENE GLYCOL
|
Resolution 2.30 Å R-free 0.242 |
| 4CIN Complex of Bcl-xL with its BH3 domain Deposited 2013-12-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain C
79–102（24 aa）
Fragment：BH3 DOMAIN, RESIDUES 79-102
|
Not recorded | CA CALCIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；40% (V/V) PEG400, 0.2M CALCIUM ACETATE, 0.1M HEPES, PH7.5
|
Resolution 2.69 Å R-free 0.271 |
| 4CIN Complex of Bcl-xL with its BH3 domain Deposited 2013-12-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
1–26（26 aa）
Fragment：RESIDUES 1-26,83-209
Chain B
83–209（127 aa）
Fragment：RESIDUES 1-26,83-209
Chain D
79–102（24 aa）
Fragment：BH3 DOMAIN, RESIDUES 79-102
|
Not recorded | CA CALCIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；40% (V/V) PEG400, 0.2M CALCIUM ACETATE, 0.1M HEPES, PH7.5
|
Resolution 2.69 Å R-free 0.271 |
| 4EHR Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide Deposited 2012-04-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
Fragment：UNP RESIDUES 1-209
|
Not recorded | 0Q5 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide × 1 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.09 Å R-free 0.283 |
| 4HNJ Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution Deposited 2012-10-19 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–209（209 aa）
Chain B
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.2 M CaCl2, 0.1 M NaOAc, 20% V/V isopropanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.254 |
| 4IEH Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions Deposited 2012-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Fragment：SEE REMARK 999
|
Not recorded | 1E9 N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.6；277 K；0.05 M succinic acid, 0.25 M sodium malonate, 12% PEG3350, 0.1 M Tris-HCl, pH 8.6, VAPOR DIFFUSION, temperature 277.0K
|
Resolution 2.10 Å R-free 0.218 |
| 4PPI Crystal structure of Bcl-xL hexamer Deposited 2014-02-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
1–209（209 aa）
Fragment：Bcl-xl, UNP residues 1-209, with deletion of residues 45-84
|
Not recorded | GOL GLYCEROL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；291 K；1.0M sodium citrate, 0.1M CHES pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.85 Å R-free 0.269 |
| 4QVE Crystal structure of Bcl-xL in complex with BID BH3 domain Deposited 2014-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209
|
Not recorded | IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 10.5；291 K；2.0M Ammonium Sulphate, 0.2M Lithium Sulphate, 0.1M CAPS pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.224 |
| 4QVF Crystal structure of Bcl-xL in complex with BIM BH3 domain Deposited 2014-07-15 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；291 K；17.5% PEG 8000, 0.2M NaCl, 0.1M phosphate citrate pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.53 Å R-free 0.230 |
| 4QVX Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo Deposited 2014-07-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–23（23 aa）
Fragment：SEE REMARK 999
Chain A
83–209（127 aa）
Fragment：SEE REMARK 999
Chain B
1–23（23 aa）
Fragment：SEE REMARK 999
Chain B
83–209（127 aa）
Fragment：SEE REMARK 999
|
Not recorded | 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；10.73 uM compound in DMSO + 2.14 uM protein in 25 mM Tris, 0.1 M sodium chloride, 10% v/v glycerol, 1 mM DTT, pH 8.0 incubated overnight at 277K then concentrated to 12 mg/mL, 1:1 protein solution:reservoir solution (3 M sodium chloride, 0.1 M citric acid, pH 3.5) used in drop, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 2.10 Å R-free 0.257 |
| 4QVX Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo Deposited 2014-07-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–23（23 aa）
Fragment：SEE REMARK 999
Chain A
83–209（127 aa）
Fragment：SEE REMARK 999
|
Not recorded | 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；10.73 uM compound in DMSO + 2.14 uM protein in 25 mM Tris, 0.1 M sodium chloride, 10% v/v glycerol, 1 mM DTT, pH 8.0 incubated overnight at 277K then concentrated to 12 mg/mL, 1:1 protein solution:reservoir solution (3 M sodium chloride, 0.1 M citric acid, pH 3.5) used in drop, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 2.10 Å R-free 0.257 |
| 4QVX Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo Deposited 2014-07-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–23（23 aa）
Fragment：SEE REMARK 999
Chain B
83–209（127 aa）
Fragment：SEE REMARK 999
|
Not recorded | 3CQ 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；10.73 uM compound in DMSO + 2.14 uM protein in 25 mM Tris, 0.1 M sodium chloride, 10% v/v glycerol, 1 mM DTT, pH 8.0 incubated overnight at 277K then concentrated to 12 mg/mL, 1:1 protein solution:reservoir solution (3 M sodium chloride, 0.1 M citric acid, pH 3.5) used in drop, VAPOR DIFFUSION, SITTING DROP, temperature 290K
|
Resolution 2.10 Å R-free 0.257 |
| 4TUH Bcl-xL in complex with inhibitor (Compound 10) Deposited 2014-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain A
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
Chain B
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain B
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
|
Not recorded | 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 7 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2 M Mg Acetate, 4% DMSO, 20% PEG3350, 0.1 M Hepes, pH 6.5
|
Resolution 1.80 Å R-free 0.209 |
| 4TUH Bcl-xL in complex with inhibitor (Compound 10) Deposited 2014-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain C
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
Chain D
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain D
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
|
Not recorded | 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2 M Mg Acetate, 4% DMSO, 20% PEG3350, 0.1 M Hepes, pH 6.5
|
Resolution 1.80 Å R-free 0.209 |
| 4TUH Bcl-xL in complex with inhibitor (Compound 10) Deposited 2014-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain E
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
Chain F
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain F
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
|
Not recorded | 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2 M Mg Acetate, 4% DMSO, 20% PEG3350, 0.1 M Hepes, pH 6.5
|
Resolution 1.80 Å R-free 0.209 |
| 4TUH Bcl-xL in complex with inhibitor (Compound 10) Deposited 2014-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain G
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain G
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
Chain H
1–26（26 aa）
Fragment：UNP residues 1-26, 83-209
Chain H
83–209（127 aa）
Fragment：UNP residues 1-26, 83-209
|
Not recorded | 38H 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2 M Mg Acetate, 4% DMSO, 20% PEG3350, 0.1 M Hepes, pH 6.5
|
Resolution 1.80 Å R-free 0.209 |
| 4Z9V TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL Deposited 2015-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–26（26 aa）
Chain A
83–208（126 aa）
Chain B
1–26（26 aa）
Chain B
83–208（126 aa）
|
Mutation：FRAGMENT: BCL-XL DELTA-LOOP, residues 1-28 and residues 83-208 Mutation：FRAGMENT: BCL-XL DELTA-LOOP, residues 1-28 and residues 83-208 Mutation：FRAGMENT: BCL-XL DELTA-LOOP, residues 1-28 and residues 83-208 Mutation：FRAGMENT: BCL-XL DELTA-LOOP, residues 1-28 and residues 83-208 | BCT BICARBONATE ION × 2 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；1.5M Tris-sodium citrate, 100mM Pipes pH
|
Resolution 2.10 Å R-free 0.222 |
| 5AGW Bcl-2 alpha beta-1 complex Deposited 2015-02-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
29–44（16 aa）
Fragment：RESIDUES 1-34,29-44,92-207
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.02M CACL2, 0.1M MOPS PH7.0, 10% 2-PROPANOL
|
Resolution 2.69 Å R-free 0.272 |
| 5AGW Bcl-2 alpha beta-1 complex Deposited 2015-02-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
Fragment：RESIDUES 1-34,29-44,92-207
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.02M CACL2, 0.1M MOPS PH7.0, 10% 2-PROPANOL
|
Resolution 2.69 Å R-free 0.272 |
| 5AGX Bcl-2 alpha beta-1 LINEAR complex Deposited 2015-02-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
Fragment：RESIDUES 1-34,29-44,92-207
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PH 7.0
|
Resolution 2.24 Å R-free 0.245 |
| 5AGX Bcl-2 alpha beta-1 LINEAR complex Deposited 2015-02-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
29–44（16 aa）
Fragment：RESIDUES 1-34,29-44,92-207
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PH 7.0
|
Resolution 2.24 Å R-free 0.245 |
| 5B1Z Crystal structure of Bcl-xL in complex with HBx-BH3 motif Deposited 2015-12-22 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–209（209 aa）
Fragment：UNP residues 1-209, with deletion of residues 27-82
Chain B
1–209（209 aa）
Fragment：UNP residues 1-209, with deletion of residues 27-82
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；1.05M Sodium Citrate, 0.1M CHES pH 9.5
|
Resolution 2.15 Å R-free 0.274 |
| 5C3G Crystal structure of Bcl-xl bound to BIM-MM Deposited 2015-06-17 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
83–209（127 aa）
Fragment：UNP residues 1-26,UNP residues 83-209
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；12% Peg 1500, 0.1M Sodium Acetate pH 5.5, 2.5M NaCl, 1.5% MPD
|
Resolution 2.45 Å R-free 0.274 |
| 5FMJ Bcl-xL with mouse Bak BH3 Q75L complex Deposited 2015-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：UNP RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：UNP RESIDUES 1-26,83-209
|
Not recorded | EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.2 M SODIUM THIOCYANATE, 20% PEG 3350
|
Resolution 2.43 Å R-free 0.220 |
| 5FMK Bcl-xL with Bak BH3 complex Deposited 2015-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：UNP RESIDUES 1-26,83-209
Chain A
83–209（127 aa）
Fragment：UNP RESIDUES 1-26,83-209
|
Not recorded | GOL GLYCEROL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；0.16M CALCIUM ACETATE, 0.08M SODIUM CACODYLATE, PH6.5, 20% GLYCEROL, 14.4% PEG 8000
|
Resolution 1.73 Å R-free 0.186 |
| 5VAY Bcl-2 complex with Beclin 1 T108D BH3 domain Deposited 2017-03-28 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Tris, pH 6.5, 0.2M ammonium acetate, 25% PEG 3350
|
Resolution 1.80 Å R-free 0.228 |
| 5VAY Bcl-2 complex with Beclin 1 T108D BH3 domain Deposited 2017-03-28 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Tris, pH 6.5, 0.2M ammonium acetate, 25% PEG 3350
|
Resolution 1.80 Å R-free 0.228 |
| 5VAY Bcl-2 complex with Beclin 1 T108D BH3 domain Deposited 2017-03-28 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Tris, pH 6.5, 0.2M ammonium acetate, 25% PEG 3350
|
Resolution 1.80 Å R-free 0.228 |
| 5VAY Bcl-2 complex with Beclin 1 T108D BH3 domain Deposited 2017-03-28 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Tris, pH 6.5, 0.2M ammonium acetate, 25% PEG 3350
|
Resolution 1.80 Å R-free 0.228 |
| 5VX3 Bcl-xL in complex with Bim-h3Pc-RT Deposited 2017-05-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Fragment：UNP residues 1-26 and 83-209
Chain A
83–209（127 aa）
Fragment：UNP residues 1-26 and 83-209
Chain E
1–26（26 aa）
Fragment：UNP residues 1-26 and 83-209
Chain E
83–209（127 aa）
Fragment：UNP residues 1-26 and 83-209
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；200 mM magnesium chloride, 20 % PEG 6000, and 100 mM sodium MES pH 6
|
Resolution 1.95 Å R-free 0.243 |
| 5VX3 Bcl-xL in complex with Bim-h3Pc-RT Deposited 2017-05-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–26（26 aa）
Fragment：UNP residues 1-26 and 83-209
Chain C
83–209（127 aa）
Fragment：UNP residues 1-26 and 83-209
Chain G
1–26（26 aa）
Fragment：UNP residues 1-26 and 83-209
Chain G
83–209（127 aa）
Fragment：UNP residues 1-26 and 83-209
|
Not recorded | EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；200 mM magnesium chloride, 20 % PEG 6000, and 100 mM sodium MES pH 6
|
Resolution 1.95 Å R-free 0.243 |
| 6BF2 Solution structure of a Bcl-xL S62E mutant Deposited 2017-10-25 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–209（209 aa）
|
Mutation：S62E | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition
2.2 mM [U-99% 13C; U-99% 15N] Bcl-xL S62E, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition
1.9 mM [U-99% 13C; U-99% 15N] Bcl-xL S62E, 92% H2O/8% D2O | 92% H2O/8% D2O
|
Resolution not provided |
| 6DCN Bcl-xL complex with Beclin 1 BH3 domain T108pThr Deposited 2018-05-07 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Chain A
83–208（126 aa）
Chain B
1–26（26 aa）
Chain B
83–208（126 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；2M NaCl, 10% glycerol
|
Resolution 2.44 Å R-free 0.229 |
| 6DCN Bcl-xL complex with Beclin 1 BH3 domain T108pThr Deposited 2018-05-07 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–26（26 aa）
Chain A
83–208（126 aa）
Chain B
1–26（26 aa）
Chain B
83–208（126 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；2M NaCl, 10% glycerol
|
Resolution 2.44 Å R-free 0.229 |
| 6DCO Bcl-xL complex with Beclin 1 BH3 domain T108D Deposited 2018-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Chain A
83–208（126 aa）
Chain B
1–26（26 aa）
Chain B
83–208（126 aa）
|
Not recorded | CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris pH 7.0, 0.2M MgCl2, 2.5M NaCl
|
Resolution 2.20 Å R-free 0.231 |
| 6F46 Structure of the transmembrane helix of BclxL in phospholipid nanodiscs Deposited 2017-11-29 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
202–233（32 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7；318 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition
400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 6HJL Affimer:BclxL Deposited 2018-09-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
83–197（115 aa）
Chain B
83–195（113 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；MPD
|
Resolution 2.20 Å R-free 0.267 |
| 6HJL Affimer:BclxL Deposited 2018-09-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
83–195（113 aa）
Chain F
83–195（113 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；MPD
|
Resolution 2.20 Å R-free 0.267 |
| 6IJQ Solution structure of BCL-XL bound to P73-TAD peptide Deposited 2018-10-11 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–44（44 aa）
Chain B
85–209（125 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 150；Pressure 1
NMR sample composition
1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.1 mM Bcl-XL, 1 mM p73 peptide, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 6LHD Crystal structure of p53/BCL-xL fusion complex Deposited 2019-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–201（200 aa）
|
Not recorded | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；0.2M sodium malonate pH 7.0, 20%(w/v) polyethylene glycol 3,350
|
Resolution 2.50 Å R-free 0.260 |
| 6LHD Crystal structure of p53/BCL-xL fusion complex Deposited 2019-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–201（200 aa）
|
Not recorded | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；0.2M sodium malonate pH 7.0, 20%(w/v) polyethylene glycol 3,350
|
Resolution 2.50 Å R-free 0.260 |
| 6O0K crystal structure of BCL-2 with venetoclax Deposited 2019-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | 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 × 1 2PE NONAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；291 K；5% PEG4K, 40%PEG400,
0.1M MES pH 6.0
|
Resolution 1.62 Å R-free 0.202 |
| 6O0L crystal structure of BCL-2 G101V mutation with venetoclax Deposited 2019-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：G101V,G101V,G101V | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；4% PEG4K, 35% PEG400,
0.08M MES pH 6.0
|
Resolution 2.20 Å R-free 0.227 |
| 6O0L crystal structure of BCL-2 G101V mutation with venetoclax Deposited 2019-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
29–44（16 aa）
|
Mutation：G101V,G101V,G101V | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；4% PEG4K, 35% PEG400,
0.08M MES pH 6.0
|
Resolution 2.20 Å R-free 0.227 |
| 6O0M crystal structure of BCL-2 F104L mutation with venetoclax Deposited 2019-02-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：F104L,F104L,F104L | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；291 K；5% PEG4K, 40% PEG400,
0.1M MES pH 6.0
|
Resolution 1.75 Å R-free 0.218 |
| 6O0O crystal structure of BCL-2 G101V mutation with S55746 Deposited 2019-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：G101V,G101V,G101V | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；291 K；0.1M NaCl
0.1M Succinic acid-NaOH pH5.0
10% PEG200
|
Resolution 2.00 Å R-free 0.267 |
| 6O0O crystal structure of BCL-2 G101V mutation with S55746 Deposited 2019-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
29–44（16 aa）
|
Mutation：G101V,G101V,G101V | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5；291 K；0.1M NaCl
0.1M Succinic acid-NaOH pH5.0
10% PEG200
|
Resolution 2.00 Å R-free 0.267 |
| 6O0P crystal structure of BCL-2 G101A mutation with venetoclax Deposited 2019-02-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：G101A,G101A,G101A | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；291 K；5% PEG4K, 40% PEG400,
0.1M MES pH 6.0
|
Resolution 1.80 Å R-free 0.232 |
| 6QG8 Structure of human Bcl-2 in complex with PUMA BH3 peptide Deposited 2019-01-10 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
Chain A
197–210（14 aa）
|
Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；284 K；from 0.2M MgCl2, 25% PegMME 2k, 0.1M Na Acetate buffer pH 5.5
|
Resolution 1.90 Å R-free 0.216 |
| 6QGG Structure of human Bcl-2 in complex with analogue of ABT-737 Deposited 2019-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Chain A
197–210（14 aa）
|
Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；284 K；1.4M Na/K phosphate pH 5.6
|
Resolution 1.50 Å R-free 0.173 |
| 6QGH Structure of human Bcl-2 in complex with ABT-263 Deposited 2019-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Chain A
197–210（14 aa）
|
Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；284 K；0.2 M NaCl, 25% PEG3350 and 0.1 M Bis-Tris buffer pH 5.5
|
Resolution 2.00 Å R-free 0.206 |
| 6QGJ Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid Deposited 2019-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Chain A
197–210（14 aa）
|
Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D Mutation：H20S, L95Q, R106L, F124G, R127Y, G128A, R129S, P168V, L175A, T178A, E179T, R183D | 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 × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；284 K；0.15M KSCN, 20% PEG1500 and 0.1M Na acetate buffer pH 5.5
|
Resolution 1.90 Å R-free 0.225 |
| 6QGK Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound Deposited 2019-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
Chain A
197–210（14 aa）
|
Mutation：H20S, E42A, E44A, L95Q, R106L, E114Q, F124G, R127Y, G128A, R129S, E135A, E165A, P168V, L175A, T178A, E179T, R183D Mutation：H20S, E42A, E44A, L95Q, R106L, E114Q, F124G, R127Y, G128A, R129S, E135A, E165A, P168V, L175A, T178A, E179T, R183D | 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 × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；284 K；0.2M Ca Acetate, 15% PEG4k, 0.1M Tris buffer pH 7.5
|
Resolution 1.80 Å R-free 0.202 |
| 6RNU BCL-XL in a complex with a covalent small molecule inhibitor Deposited 2019-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
Chain B
1–209（209 aa）
|
Not recorded | KBH 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid × 2 BR BROMIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；0.2M NaBr, 20% PEG 3350
|
Resolution 2.40 Å R-free 0.275 |
| 6ST2 Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs Deposited 2019-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–209（209 aa）
Chain B
1–209（209 aa）
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；10% PEG 8000, 0.2M magnesium chloride and 0.1M Tris pH 7.0
|
Resolution 1.79 Å R-free 0.241 |
| 6UVC Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | XOY (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid × 2 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulphate, 0.1 M HEPES pH 6.5
|
Resolution 1.90 Å R-free 0.207 |
| 6UVD Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | XOU (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid × 2 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；1.4 M ammonium sulphate, 0.1 M HEPES pH 6.5
|
Resolution 2.15 Å R-free 0.212 |
| 6UVE Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | QHV (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.9 M trisodium citrate, 0.1 M MES pH 6.0, 5% (v/v) PEG400
|
Resolution 2.87 Å R-free 0.254 |
| 6UVE Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Chain C
83–209（127 aa）
|
Not recorded | QHV (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.9 M trisodium citrate, 0.1 M MES pH 6.0, 5% (v/v) PEG400
|
Resolution 2.87 Å R-free 0.254 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 2 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Chain C
83–209（127 aa）
Chain D
1–26（26 aa）
Chain D
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 3 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
1–26（26 aa）
Chain E
83–209（127 aa）
Chain F
1–26（26 aa）
Chain F
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 4 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain G
1–26（26 aa）
Chain G
83–209（127 aa）
Chain H
1–26（26 aa）
Chain H
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain I
1–26（26 aa）
Chain I
83–209（127 aa）
Chain J
1–26（26 aa）
Chain J
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVF Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain K
1–26（26 aa）
Chain K
83–209（127 aa）
Chain L
1–26（26 aa）
Chain L
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 2 QHS (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.4 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.24 Å R-free 0.227 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Chain C
83–209（127 aa）
Chain D
1–26（26 aa）
Chain D
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
1–26（26 aa）
Chain E
83–209（127 aa）
Chain F
1–26（26 aa）
Chain F
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain G
1–26（26 aa）
Chain G
83–209（127 aa）
Chain H
1–26（26 aa）
Chain H
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain I
1–26（26 aa）
Chain I
83–209（127 aa）
Chain J
1–26（26 aa）
Chain J
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVG Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain K
1–26（26 aa）
Chain K
83–209（127 aa）
Chain L
1–26（26 aa）
Chain L
83–209（127 aa）
|
Not recorded | QHP (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.7 M ammonium sulfate, 0.1 M MES pH 6.0
|
Resolution 2.10 Å R-free 0.228 |
| 6UVH Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 1 QHJ (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M Tris pH 7.0
|
Resolution 2.19 Å R-free 0.237 |
| 6UVH Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid Deposited 2019-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–26（26 aa）
Chain C
83–209（127 aa）
Chain D
1–26（26 aa）
Chain D
83–209（127 aa）
|
Not recorded | SO4 SULFATE ION × 1 QHJ (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M ammonium sulfate, 0.1 M Tris pH 7.0
|
Resolution 2.19 Å R-free 0.237 |
| 6VWC Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors Deposited 2020-02-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–25（25 aa）
Chain A
83–209（127 aa）
|
Mutation：W24A,E158K,D189A Mutation：W24A,E158K,D189A | RQ7 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；290 K；30%(w/v) PEG 10,000, 0.1M Tris Hcl pH 8.5
|
Resolution 1.60 Å R-free 0.200 |
| 6VWC Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors Deposited 2020-02-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–25（25 aa）
Chain B
83–209（127 aa）
|
Mutation：W24A,E158K,D189A Mutation：W24A,E158K,D189A | RQ7 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；290 K；30%(w/v) PEG 10,000, 0.1M Tris Hcl pH 8.5
|
Resolution 1.60 Å R-free 0.200 |
| 6X7I Structure of the C-terminal domain of BCL-XL in membrane Deposited 2020-05-30 | Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
206–233（28 aa）
Fragment：C-terminal domain, residues 206-233
|
Not recorded | No recorded non-water small molecule |
Experimental method not declared
NMR measurement conditions
pH 6.5；318 K；Ionic strength (raw mmCIF value) 200；Pressure 1
NMR sample composition
0.2 mM [U-99% 15N] C-terminal domain of BCL-XL, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.2 mM [U-99% 13C; U-99% 15N] C-terminal domain of BCL-XL, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
4 mg/mL selectively 15N Leu labeled C-terminal domain of BCL-XL, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
10 mg/mL selectively 15N Leu labeled C-terminal domain of BCL-XL, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 6YLI Crystal structure of human bcl-xL bound to trichoplax adhaerens trBak BH3 Deposited 2020-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
|
Mutation：delta45-84 | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2 M ammonium sulfate and 30 % w/v PEG 8000
|
Resolution 1.90 Å R-free 0.236 |
| 6YLI Crystal structure of human bcl-xL bound to trichoplax adhaerens trBak BH3 Deposited 2020-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–209（209 aa）
|
Mutation：delta45-84 | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2 M ammonium sulfate and 30 % w/v PEG 8000
|
Resolution 1.90 Å R-free 0.236 |
| 6ZHC PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL Deposited 2020-06-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain DDD
1–209（209 aa）
|
Not recorded | QL8 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 17 GOL GLYCEROL × 9 IOD IODIDE ION × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；291 K；0.2 M Potassium iodide, 0.1 M MES pH 6.5, 23% PEG 4000
|
Resolution 1.92 Å R-free 0.196 |
| 7CA4 The Crystal Structure of human Bcl-2-like protein 1 from Biortus Deposited 2020-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–211（211 aa）
|
Not recorded | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；50mM MES, pH6.2, 1.8M ammonium sulfate
|
Resolution 2.70 Å R-free 0.228 |
| 7JGV CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 Deposited 2020-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
Chain B
1–26（26 aa）
Chain B
83–209（127 aa）
|
Not recorded | V9S 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 5.0)
10% PEG MME 2000
10% ethanol
|
Resolution 2.05 Å R-free 0.246 |
| 7JGW Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 Deposited 2020-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–26（26 aa）
Chain A
83–209（127 aa）
|
Not recorded | V9S 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate (pH 5.0)
10% PEG 4000
|
Resolution 1.30 Å R-free 0.199 |
| 7LH7 Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor Deposited 2021-01-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–25（25 aa）
Chain A
83–209（127 aa）
|
Mutation：W24A,E158K,D189A Mutation：W24A,E158K,D189A | XZM N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
COUNTER-DIFFUSION；pH 4.2；290 K；20% (w/v) PEG 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M sodium chloride. The method was liquid-liquid counter diffusion
|
Resolution 1.41 Å R-free 0.199 |
| 7LH7 Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor Deposited 2021-01-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–25（25 aa）
Chain B
83–209（127 aa）
|
Mutation：W24A,E158K,D189A Mutation：W24A,E158K,D189A | XZM N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
COUNTER-DIFFUSION；pH 4.2；290 K；20% (w/v) PEG 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M sodium chloride. The method was liquid-liquid counter diffusion
|
Resolution 1.41 Å R-free 0.199 |
| 7XGG Crystal structure of BCL-xL in complex with computationally designed inhibitor protein Deposited 2022-04-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
1–44（44 aa）
Chain B
85–209（125 aa）
Chain C
1–44（44 aa）
Chain C
85–209（125 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；4% PEG 3,000(w/v), 0.1M Sodium acetate(pH4.5)
|
Resolution 1.90 Å R-free 0.197 |
| 7XGG Crystal structure of BCL-xL in complex with computationally designed inhibitor protein Deposited 2022-04-04 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
1–44（44 aa）
Chain E
85–209（125 aa）
Chain F
1–44（44 aa）
Chain F
85–209（125 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；4% PEG 3,000(w/v), 0.1M Sodium acetate(pH4.5)
|
Resolution 1.90 Å R-free 0.197 |
| 7Y8D Crystal structure of cp1 bound BCLxl Deposited 2022-06-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–27（27 aa）
Chain A
83–196（114 aa）
|
Not recorded | JFF (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；277 K；0.1M HEPES pH7.5, 2.0M Ammonium formate
|
Resolution 2.00 Å R-free 0.243 |
| 7YAA Crystal structure analysis of cp3 bound BCLxl Deposited 2022-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–26（26 aa）
Chain A
82–196（115 aa）
|
Not recorded | GOL GLYCEROL × 2 JJ9 N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；PEG 400, Tris, Magnesium chloride
|
Resolution 1.40 Å R-free 0.181 |
| 7YB7 anti-apoptotic protein BCL-2-M12 Deposited 2022-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
31–44（14 aa）
|
Not recorded | IQ8 N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；290 K；0.5 M Ammonium sulfate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 1.0 M Lithium sulfate monohydrate
|
Resolution 2.20 Å R-free 0.194 |
| 7YB7 anti-apoptotic protein BCL-2-M12 Deposited 2022-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
31–44（14 aa）
|
Not recorded | IQ8 N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；290 K；0.5 M Ammonium sulfate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 1.0 M Lithium sulfate monohydrate
|
Resolution 2.20 Å R-free 0.194 |
| 8FY0 E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) Deposited 2023-01-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
1–212（212 aa）
|
Not recorded | CAD CACODYLIC ACID × 1 GOL GLYCEROL × 2 YF8 N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；0.1 M Sodium Cacodylate pH 5.5, 0.2 M Sodium chloride, 6-8% PEG 8000 and 4% tert-Butanediol
|
Resolution 2.94 Å R-free 0.241 |
| 8U27 Bcl-2-xL complexed with compound 35 Deposited 2023-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | ULL propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7.3；293 K；Ionic strength (raw mmCIF value) 0.0375；Pressure 1
NMR measurement conditions
pH 7.3；293 K；Ionic strength (raw mmCIF value) 0.0375；Pressure 1
NMR measurement conditions
pH 7.3；293 K；Ionic strength (raw mmCIF value) 0.0375；Pressure 1
NMR sample composition
300 uM [U-99% 13C; U-99% 15N] Bcl-2-xL, 300 uM Compound 35, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
300 uM [U-99% 15N] Bcl-2-xL, 300 uM Compound 35, 100% D2O | 100% D2O
NMR sample composition
300 uM [U-10% 13C] Bcl-2-xL, 300 uM Compound 35, 93% H2O/7% D2O | 93% H2O/7% D2O
|
Resolution not provided |
| 8VWX Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；100 mM Tris (pH 8.5), 25% PEG 3350, and 200 mM sodium chloride
|
Resolution 1.77 Å R-free 0.225 |
| 8VWZ Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Mutation：G101V | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；100 mM bis-tris (pH 5.5), 2 M ammonium sulfate
|
Resolution 2.33 Å R-free 0.256 |
| 8VXM Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746 Deposited 2024-02-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | 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 × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；100 mM Tris (pH 8.5), 25% PEG 3350, 200 mM lithium sulfate
|
Resolution 2.10 Å R-free 0.243 |
| 8VXN Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein Deposited 2024-02-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
29–44（16 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM Tris (pH 8.0), 29% PEG 3350, 200 mM sodium chloride
|
Resolution 2.09 Å R-free 0.264 |
| 8WLS Bcl-xL in complex with HBx BH3 delta C peptide Deposited 2023-10-01 | 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 A
1–196（196 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.8；308 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR measurement conditions
pH 7；308 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition
0.5 mM [U-15N] HBx-Bcl-xL fusion, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-13C; U-15N] HBx-Bcl-xL fusion, 1.2 mM Non Bcl-xL, 0.3 mM [U-13C; U-15N] HBx, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 8XP5 The Crystal Structure of p53/BCL-xL fusion complex from Biortus. Deposited 2024-01-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–44（43 aa）
Chain A
85–201（117 aa）
|
Not recorded | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.05M MgCl2, 0.1M MES pH6.5, 5% PEG 4000, 10% 2-Propanol, 30% w/v D-Sorbito
|
Resolution 2.55 Å R-free 0.328 |
| 8XP5 The Crystal Structure of p53/BCL-xL fusion complex from Biortus. Deposited 2024-01-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
2–44（43 aa）
Chain B
85–201（117 aa）
|
Not recorded | ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.05M MgCl2, 0.1M MES pH6.5, 5% PEG 4000, 10% 2-Propanol, 30% w/v D-Sorbito
|
Resolution 2.55 Å R-free 0.328 |
| 8ZEB Crystal structure of BCL-XL bound by cp-B6X-4 Deposited 2024-05-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–196（196 aa）
Chain B
1–196（196 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；289.15 K；15% v/v 2-Propanol, 0.1 M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 10,000
|
Resolution 1.95 Å R-free 0.226 |
| 8ZEB Crystal structure of BCL-XL bound by cp-B6X-4 Deposited 2024-05-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–196（196 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；289.15 K；15% v/v 2-Propanol, 0.1 M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 10,000
|
Resolution 1.95 Å R-free 0.226 |
| 8ZEB Crystal structure of BCL-XL bound by cp-B6X-4 Deposited 2024-05-05 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–196（196 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；289.15 K；15% v/v 2-Propanol, 0.1 M Sodium citrate tribasic dihydrate pH 5.0, 10% w/v Polyethylene glycol 10,000
|
Resolution 1.95 Å R-free 0.226 |
| 9AQZ Crystal structure of Bcl-xL in complex with a small molecule inhibitor Deposited 2024-02-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–25（25 aa）
Chain A
83–209（127 aa）
|
Mutation：W24A,E158K,D189A Mutation：W24A,E158K,D189A | A1AFG (3M)-3-(1-{[(1r,3R,5S,7r)-adamantan-1-yl]methyl}-5-methyl-1H-pyrazol-4-yl)-6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}pyridine-2-carboxylic acid × 1 CD CADMIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；290 K；1 M sodium acetate, 0.1 M HEPES pH 7.5, 0.05 M cadmium sulfate
|
Resolution 1.96 Å R-free 0.264 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–209（209 aa）
Chain E
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–209（209 aa）
Chain G
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain I
1–209（209 aa）
Chain K
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
1–209（209 aa）
|
Not recorded | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LGU Crystal structure of Bcl-xL in complex with stapled HRK peptide Deposited 2025-01-10 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 9 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain K
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3,350 (w/v)
|
Resolution 2.97 Å R-free 0.303 |
| 9LI8 Crystal structure of Bcl-xL in complex with HRK BH3 peptide Deposited 2025-01-13 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–209（209 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5 and 25% w/v Polyethylene glycol 3350.
|
Resolution 2.32 Å R-free 0.264 |
| 9O14 Crystal Structure of BCL-2 in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
|
Not recorded | NI NICKEL (II) ION × 2 NTA NITRILOTRIACETIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；15.0% PEG-3350 and 150 mM CsCl
|
Resolution 1.73 Å R-free 0.222 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 5 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain I
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O15 Crystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 6 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain K
29–44（16 aa）
|
Mutation：G101V | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% Tacsimate, pH 7.0
|
Resolution 1.99 Å R-free 0.223 |
| 9O16 Crystal Structure of human BCL-2 (R129L) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2 Deposited 2025-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
29–44（16 aa）
|
Mutation：R129L | IMD IMIDAZOLE × 2 SO4 SULFATE ION × 1 NI NICKEL (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG-3350, 200 mM Ammonium sulfate, 100 mM Tris, pH 8.5
|
Resolution 1.73 Å R-free 0.210 |
123 other PDB entries and 195 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | BCLX_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–211； UniProt 1–211 |
