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4ieh

Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions

Method: X-RAY DIFFRACTION Dmax: 49.4 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera

Homo sapiens

UniProt P10415

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1–34 Chain A； UniProt 92–207 Fragment：SEE REMARK 999 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

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 4IEH Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1G5M HUMAN BCL-2, ISOFORM 1 Deposited 2000-11-01 Different construct 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 1–34（34 aa）
Chain A 92–207（116 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 ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 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
1YSW Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand Deposited 2005-02-09 Different construct Different oligomeric state 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 3–34（32 aa）
Chain A 91–205（115 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；Pressure ambient
NMR sample composition 1 mM Bcl-2 U-15N,13C, 25 mM Deuterated TRIS, 1 mM deuterated dithiothreitol, 100% D2O | 100% 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 ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–34（32 aa）
Chain A 92–207（116 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 ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–34（32 aa）
Chain A 92–207（116 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
2O2F Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand Deposited 2006-11-29 Different construct Different oligomeric state 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 8–31（24 aa）
Chain A 92–204（113 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 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
2W3L Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex Deposited 2008-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 9–33（25 aa） Fragment：RESIDUES 9-33,92-206
Chain A 92–206（115 aa） Fragment：RESIDUES 9-33,92-206
Not recorded DRO 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.258
2W3L Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex Deposited 2008-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 9–33（25 aa） Fragment：RESIDUES 9-33,92-206
Chain B 92–206（115 aa） Fragment：RESIDUES 9-33,92-206
Not recorded DRO 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.258
2XA0 Crystal structure of BCL-2 in complex with a BAX BH3 peptide Deposited 2010-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–207（207 aa） Fragment：RESIDUES 1-207
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M SODIUM ACETATE (PH 4.2), 3.0 M SODIUM FORMATE
Resolution 2.70 Å R-free 0.242
2XA0 Crystal structure of BCL-2 in complex with a BAX BH3 peptide Deposited 2010-03-25 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 B 1–207（207 aa） Fragment：RESIDUES 1-207
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 0.1 M SODIUM ACETATE (PH 4.2), 3.0 M SODIUM FORMATE
Resolution 2.70 Å R-free 0.242
4AQ3 HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR Deposited 2012-04-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain A 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain B 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain C 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain D 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain E 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–33（33 aa） Fragment：RESIDUES 1-33 AND 92-207 OF P10415 AND RESIDUES 29-44 OF Q07817
Chain F 92–207（116 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
4LVT Bcl_2-Navitoclax (ABT-263) Complex Deposited 2013-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa） Fragment：UNP RESIDUES 1-34, 92-207
Chain A 92–207（116 aa） Fragment：UNP RESIDUES 1-34, 92-207
Mutation：A2P Mutation：A2P 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；pH 4.2；296 K；0.5 M (NH4)2SO4, 0.1 M Na Acetate, 0.2 M NaCl, pH 4.2, VAPOR DIFFUSION, temperature 296K
Resolution 2.05 Å R-free 0.222
4LVT Bcl_2-Navitoclax (ABT-263) Complex Deposited 2013-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–34（34 aa） Fragment：UNP RESIDUES 1-34, 92-207
Chain B 92–207（116 aa） Fragment：UNP RESIDUES 1-34, 92-207
Mutation：A2P Mutation：A2P 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；pH 4.2；296 K；0.5 M (NH4)2SO4, 0.1 M Na Acetate, 0.2 M NaCl, pH 4.2, VAPOR DIFFUSION, temperature 296K
Resolution 2.05 Å R-free 0.222
4LXD Bcl_2-Navitoclax Analog (without Thiophenyl) Complex Deposited 2013-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa） Fragment：UNP RESIDUES 1-34, 92-207
Chain A 92–207（116 aa） Fragment：UNP RESIDUES 1-34, 92-207
Mutation：A2P Mutation：A2P 1XV 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；296 K；1.5 M (NH4)2SO4, 0.1 M MES, 8%(V/V) PEG400, pH 6.5, VAPOR DIFFUSION, temperature 296K
Resolution 1.90 Å R-free 0.212
4MAN Bcl_2-Navitoclax Analog (with Indole) Complex Deposited 2013-08-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa） Fragment：UNP RESIDUES 1-34, 92-207
Chain A 92–207（116 aa） Fragment：UNP RESIDUES 1-34, 92-207
Not recorded 1Y1 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；296 K；1.5 M Li2SO4, 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, temperature 296K
Resolution 2.07 Å R-free 0.234
4MAN Bcl_2-Navitoclax Analog (with Indole) Complex Deposited 2013-08-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–34（34 aa） Fragment：UNP RESIDUES 1-34, 92-207
Chain B 92–207（116 aa） Fragment：UNP RESIDUES 1-34, 92-207
Not recorded 1Y1 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；296 K；1.5 M Li2SO4, 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, temperature 296K
Resolution 2.07 Å R-free 0.234
5AGW Bcl-2 alpha beta-1 complex Deposited 2015-02-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa） Fragment：RESIDUES 1-34,29-44,92-207
Chain B 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–34（34 aa） Fragment：RESIDUES 1-34,29-44,92-207
Chain A 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–34（34 aa） Fragment：RESIDUES 1-34,29-44,92-207
Chain A 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa） Fragment：RESIDUES 1-34,29-44,92-207
Chain B 92–207（116 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
5JSN Bcl2-inhibitor complex Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–207（207 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；30% Jeffamine ED-2001, pH7.0/100 mM HEPES pH 7.0
Resolution 2.10 Å R-free 0.205
5JSN Bcl2-inhibitor complex Deposited 2016-05-09 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 1–207（207 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；30% Jeffamine ED-2001, pH7.0/100 mM HEPES pH 7.0
Resolution 2.10 Å R-free 0.205
5VAU Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct 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 1–34（34 aa）
Chain A 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Bis-tris chloride, pH 5.5, ).2M ammonium acetate, 25% PEG 3350
Resolution 1.75 Å R-free 0.215
5VAU Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa）
Chain B 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Bis-tris chloride, pH 5.5, ).2M ammonium acetate, 25% PEG 3350
Resolution 1.75 Å R-free 0.215
5VAU Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–34（34 aa）
Chain C 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Bis-tris chloride, pH 5.5, ).2M ammonium acetate, 25% PEG 3350
Resolution 1.75 Å R-free 0.215
5VAU Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–34（34 aa）
Chain D 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Bis-tris chloride, pH 5.5, ).2M ammonium acetate, 25% PEG 3350
Resolution 1.75 Å R-free 0.215
5VAX Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct 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 1–34（34 aa）
Chain A 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；bis-tris chloride, pH 4.5, 0.2M ammonium acetate, 25% PEG 3350
Resolution 2.00 Å R-free 0.243
5VAX Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa）
Chain B 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；bis-tris chloride, pH 4.5, 0.2M ammonium acetate, 25% PEG 3350
Resolution 2.00 Å R-free 0.243
5VAX Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–34（34 aa）
Chain C 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；bis-tris chloride, pH 4.5, 0.2M ammonium acetate, 25% PEG 3350
Resolution 2.00 Å R-free 0.243
5VAX Bcl-2 complex with Beclin 1 BH3 domain Deposited 2017-03-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–34（34 aa）
Chain D 92–207（116 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；bis-tris chloride, pH 4.5, 0.2M ammonium acetate, 25% PEG 3350
Resolution 2.00 Å R-free 0.243
5VAY Bcl-2 complex with Beclin 1 T108D BH3 domain Deposited 2017-03-28 Different construct 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 1–34（34 aa）
Chain A 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa）
Chain B 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–34（34 aa）
Chain C 92–207（116 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–34（34 aa）
Chain D 92–207（116 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
6GL8 Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 Deposited 2018-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 9–33（25 aa）
Chain A 92–206（115 aa）
Mutation：;L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E ; Mutation：;L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E,L95K, Q99E ; 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, HANGING DROP；pH 5.25；284 K；0.1 M sodium acetate buffer pH 5.25, 20% Jeffamine600, 10% PEG3350
Resolution 1.40 Å R-free 0.194
6IWB Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 Deposited 2018-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–34（34 aa） Fragment：UNP residues 1-34,UNP residues 92-207
Chain B 92–207（116 aa） Fragment：UNP residues 1-34,UNP residues 92-207
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295.15 K；17% PEG2000, 0.1M Sodium Succinate (pH 5.5), 0.32M Ammonium Sulfate
Resolution 2.50 Å R-free 0.275
6IWB Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 Deposited 2018-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–34（34 aa） Fragment：UNP residues 1-34,UNP residues 92-207
Chain D 92–207（116 aa） Fragment：UNP residues 1-34,UNP residues 92-207
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295.15 K；17% PEG2000, 0.1M Sodium Succinate (pH 5.5), 0.32M Ammonium Sulfate
Resolution 2.50 Å R-free 0.275
6O0K crystal structure of BCL-2 with venetoclax Deposited 2019-02-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：G101V,G101V,G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–34（34 aa）
Chain C 92–207（116 aa）
Mutation：G101V,G101V,G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：F104L,F104L,F104L 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：G101V,G101V,G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–34（34 aa）
Chain C 92–207（116 aa）
Mutation：G101V,G101V,G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：G101A,G101A,G101A 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 10–33（24 aa）
Chain A 92–203（112 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–33（24 aa）
Chain A 92–203（112 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–33（24 aa）
Chain A 92–203（112 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–33（24 aa）
Chain A 92–203（112 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–33（24 aa）
Chain A 92–203（112 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
7LHB Crystal structure of Bcl-2 in complex with prodrug ABBV-167 Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–34（34 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Chain A 92–207（116 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Mutation：A4P, R26K Mutation：A4P, R26K XZD Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% w/v PEG4000, 0.1 M Tris-HCl, pH 8.0, 0.2 M calcium chloride
Resolution 2.07 Å R-free 0.238
7LHB Crystal structure of Bcl-2 in complex with prodrug ABBV-167 Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–34（34 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Chain B 92–207（116 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Mutation：A4P, R26K Mutation：A4P, R26K XZD Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% w/v PEG4000, 0.1 M Tris-HCl, pH 8.0, 0.2 M calcium chloride
Resolution 2.07 Å R-free 0.238
7LHB Crystal structure of Bcl-2 in complex with prodrug ABBV-167 Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–34（34 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Chain C 92–207（116 aa） Fragment：UNP residues 35-91 replaced with DVEENRTEAPEGTESE
Mutation：A4P, R26K Mutation：A4P, R26K XZD Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20% w/v PEG4000, 0.1 M Tris-HCl, pH 8.0, 0.2 M calcium chloride
Resolution 2.07 Å R-free 0.238
7Y90 Crystal Structure Analysis of cp1 bound BCL2 Deposited 2022-06-24 Different construct 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 1–34（34 aa）
Chain A 92–207（116 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, HANGING DROP；277 K；0.1M Bis-Tris pH6.5, 2.0M Ammonium Sulfate
Resolution 2.09 Å R-free 0.276
7YA5 Crystal structure analysis of cp1 bound BCL2/G101V 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 × 2 PDB declaration: dimeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：G101V Mutation：G101V 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；277 K；Calcium acetate, PEG 3350
Resolution 1.85 Å R-free 0.243
7YB7 anti-apoptotic protein BCL-2-M12 Deposited 2022-06-29 Different construct 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 10–35（26 aa）
Chain A 92–203（112 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 10–35（26 aa）
Chain B 92–203（112 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
8FY1 E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2) 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 1–207（207 aa）
Not recorded 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 Tris-Cl pH 8.7, 18% PEG 8000, 0.2 M MgCl2 and 3% 1,6-Hexanediol
Resolution 2.56 Å R-free 0.250
8FY2 E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) 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 1–207（207 aa）
Not recorded YFH N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.1 M Tris-Cl pH 8.7, 18% PEG 8000, 0.2 M MgCl2 and 3% 1,6-Hexanediol
Resolution 2.98 Å R-free 0.279
8HLL Crystal structure of p53/BCL2 fusion complex (complex 1) Deposited 2022-11-30 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 B 10–35（26 aa）
Chain B 92–203（112 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 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；PEG 8K 8%-13%, 0.1M HEPES, 0.8% ethylene glycol
Resolution 2.62 Å R-free 0.280
8HLM Crystal structure of p53/BCL2 fusion complex (complex 2) Deposited 2022-11-30 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 B 10–35（26 aa）
Chain B 92–203（112 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 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1 M Imidazole, PEG8K 15-21%
Resolution 2.52 Å R-free 0.290
8HLN Crystal structure of p53/BCL2 fusion complex(complex3) Deposited 2022-11-30 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 B 10–35（26 aa）
Chain B 92–203（112 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 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1 M HEPES, PEG8000 8%-13%, 0.8% ethylene glycol
Resolution 2.35 Å R-free 0.253
8U27 Bcl-2-xL complexed with compound 35 Deposited 2023-09-05 Different construct 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 1–34（34 aa）
Chain A 92–218（127 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–34（25 aa）
Chain A 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–34（25 aa）
Chain A 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–34（25 aa）
Chain A 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 10–34（25 aa）
Chain A 92–207（116 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
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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–34（34 aa）
Chain A 92–207（116 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–34（34 aa）
Chain C 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–34（34 aa）
Chain E 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–34（34 aa）
Chain G 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 1–34（34 aa）
Chain I 92–207（116 aa）
Mutation：G101V 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 ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain K 1–34（34 aa）
Chain K 92–207（116 aa）
Mutation：G101V 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 1–34（34 aa）
Chain A 92–207（116 aa）
Mutation：R129L 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

47 other PDB entries and 79 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BCL2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–37； UniProt 1–34 Author chain A； PDBConstruct 54–169； UniProt 92–207

Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera

Homo sapiens

UniProt Q07817

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 29–44 Fragment：SEE REMARK 999 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

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 4IEH 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 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）
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 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） 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 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 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 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 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 oligomeric state 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 1–209（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 oligomeric state 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：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 construct Different oligomeric state 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） 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 construct Different mutation/modification Different oligomeric state 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） 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 construct Different mutation/modification Different oligomeric state 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） 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 construct Different mutation/modification Different oligomeric state 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） 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
1R2I Human Bcl-XL containing a Phe to Leu mutation at position 146 Deposited 2003-09-26 Different construct Different mutation/modification Different oligomeric state 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） Fragment：Bcl-XL
Mutation：F146L 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 2.00 Å R-free 0.235
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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–211（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 oligomeric state 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 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 oligomeric state 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 1–209（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 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）
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 oligomeric state 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 1–209（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 oligomeric state 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 1–209（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 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 oligomeric state 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 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 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 oligomeric state 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 oligomeric state 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 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：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 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：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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state Different ligand/ion 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 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：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 ligand/ion 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 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：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 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：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 oligomeric state 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） 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 oligomeric state 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 oligomeric state 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 83–209（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 ligand/ion 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 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 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 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 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 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 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 oligomeric state 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 ligand/ion 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
4PPI Crystal structure of Bcl-xL hexamer Deposited 2014-02-27 Different construct 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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） 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 oligomeric state Different ligand/ion 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 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） 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 oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state 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 1–209（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 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 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 ligand/ion 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 oligomeric state 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 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 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 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 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 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 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 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 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 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 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 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）
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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 ligand/ion 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 ligand/ion 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 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 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 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 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 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 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 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 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 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 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 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 1–196（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 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 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 ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–196（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 oligomeric state Different ligand/ion 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 oligomeric state 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 oligomeric state Different ligand/ion 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 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）
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 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 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：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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 B2CL1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 38–53； UniProt 29–44

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4ieh

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4ieh
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4ieh
Deposition date deposition_date2012-12-13
Structure title titleCrystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions
Keywords keywords;protein-protein interaction, alpha helical, pro-apoptosis, cytochrome c release, caspase activation, BIM, BAK, BAD, PUMA, APOPTOSIS-INHIBITOR complex ;; APOPTOSIS/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier15.92 Å
Radius of gyration Rg (electron density) rg_electron14.40 Å
Forward intensity I(0) i05869660.00
Molecular weight molecular_weight17229.0 kDa
Excluded volume excluded_volume21394 ų
Envelope volume envelope_volume23736 ų
Hydration-shell volume shell_volume13759 ų
Envelope diameter envelope_diameter50.2 Å
Shell Rg shell_rg20.47 Å
Envelope Rg envelope_rg14.66 Å
Shape Rg shape_rg14.39 Å
Total Rg total_rg15.58 Å
Total atoms total_atoms1216
Residues n_residues138
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax49.4 Å
Rg (real space) rg_real15.78 Å
Rg uncertainty (real space) rg_real_error0.17 Å
I(0) (real space) i0_real5.8700e+06
I(0) uncertainty (real space) i0_real_error4.8670e+04
Rg (reciprocal space) rg_reciprocal15.80 Å
I(0) (reciprocal space) i0_reciprocal5870000.0000
Solution quality estimate total_estimate0.8134
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.2 Å
Skewness Skewness skewness0.050
Kurtosis Kurtosis kurtosis-0.400
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1531000.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4ieha_
Class classf — Membrane and cell surface proteins and peptides
Fold Fold foldf.1 — Toxins' membrane translocation domains
Superfamily Superfamily superfamilyf.1.4 — Bcl-2 inhibitors of programmed cell death
Family Family familyf.1.4.1 — Bcl-2 inhibitors of programmed cell death
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8. Citations (1)

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9. Files and Curves (10)