Current Protein Identity：P27986
New Search
Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1A0N NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TYROSINE KINASE COMPLEXED WITH THE SYNTHETIC PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 SUBUNIT OF PI3-KINASE, FAMILY OF 25 STRUCTURES Deposited 1997-12-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
91–104（14 aa）
Fragment：P85 SUBUNIT OF PI3-KINASE, RESIDUES 91 - 104
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1AZG NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TYROSINE KINASE KINASE COMPLEXED WITH THE SYNTHETIC PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 SUBUNIT OF PI3-KINASE, MINIMIZED AVERAGE (PROBMAP) STRUCTURE Deposited 1997-11-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
91–104（14 aa）
Fragment：P85 SUBUNIT OF PI3-KINASE, RESIDUES 91 - 104
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1H9O PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A Deposited 2001-03-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
617–724（108 aa）
Fragment：C-TERMINAL SH2 DOMAIN, P85-ALPHA REGULATORY SUBUNIT RESIDUES 617 - 724
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；40MG/ML PROTEIN IN 20 MM PHOSPHATE PH6.2 + PEG8000, RESERVOIR WITH SAME PHOSPHATE + PEG8000 + 250MM NACL, pH 7.00
|
Resolution 1.79 Å R-free 0.219 |
| 1PBW STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN Deposited 1996-10-17 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
105–319（215 aa）
Fragment：P85 ALPHA SUBUNIT BCR-HOMOLOGY DOMAIN
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.235 |
| 1PBW STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN Deposited 1996-10-17 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
105–319（215 aa）
Fragment：P85 ALPHA SUBUNIT BCR-HOMOLOGY DOMAIN
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.235 |
| 1PHT PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN, RESIDUES 1-85 Deposited 1995-08-17 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–85（85 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.258 |
| 1PIC PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE Deposited 1997-06-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
617–724（108 aa）
Fragment：C-TERMINAL SH2 DOMAIN, RESIDUES 617 - 724 OF P85-ALPHA REGULATORY SUBUNIT
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.8；296 K
|
Resolution not provided |
| 1PKS STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 FAMILY Deposited 1994-03-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–79（79 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1PKT STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 FAMILY Deposited 1994-03-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–79（79 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 2IUG Crystal structure of the PI3-kinase p85 N-terminal SH2 domain Deposited 2006-06-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
321–440（120 aa）
Fragment：N-TERMINAL SH2 DOMAIN, RESIDUES 321-440
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
20% PEG4000, 50MM MGCL2, 50MM TRIS PH7.5
|
Resolution 1.89 Å R-free 0.289 |
| 2IUH Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with c-Kit phosphotyrosyl peptide Deposited 2006-06-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
321–440（120 aa）
Fragment：N-TERMINAL SH2 DOMAIN, RESIDUES 321-440
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
0.1M NA CITRATE PH5.6, 0.2M NA/K TARTRATE, 2M AMMONIUM SULFATE
|
Resolution 2.00 Å R-free 0.245 |
| 2IUI Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with PDGFR phosphotyrosyl peptide Deposited 2006-06-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
321–440（120 aa）
Fragment：N-TERMINAL SH2 DOMAIN, RESIDUES 321-440
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
0.1M SODIUM ACETATE PH 4.6, 0.2M AMMONIUM ACETATE, 30% PEG4000
|
Resolution 2.40 Å R-free 0.248 |
| 2IUI Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with PDGFR phosphotyrosyl peptide Deposited 2006-06-03 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
321–440（120 aa）
Fragment：N-TERMINAL SH2 DOMAIN, RESIDUES 321-440
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
0.1M SODIUM ACETATE PH 4.6, 0.2M AMMONIUM ACETATE, 30% PEG4000
|
Resolution 2.40 Å R-free 0.248 |
| 2RD0 Structure of a human p110alpha/p85alpha complex Deposited 2007-09-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：UNP residues 322-600
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；293 K；Sodium Formate, pH 7.0, VAPOR DIFFUSION, temperature 293K
|
Resolution 3.05 Å R-free 0.323 |
| 2V1Y Structure of a phosphoinositide 3-kinase alpha adaptor-binding domain (ABD) in a complex with the iSH2 domain from p85 alpha Deposited 2007-05-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
431–600（170 aa）
Fragment：INTER-SH2 DOMAIN (ISH2), RESIDUES 431-600
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；0.2M MG(NO3)2, 20% PEG3350 (HAMPTON), 5MM TRIS-HCL PH 7.0 (25C), 5% GLYCEROL AND 5MM FRESH DTT
|
Resolution 2.40 Å R-free 0.292 |
| 3HHM Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin Deposited 2009-05-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–694（373 aa）
Fragment：UNP residues 322-694
|
Mutation：D330N | KWT (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；Na formate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.307 |
| 3HIZ Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha Deposited 2009-05-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–694（373 aa）
Fragment：UNP residues 322-694
|
Mutation：D330N | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；Na formate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.30 Å R-free 0.333 |
| 3I5R PI3K SH3 domain in complex with a peptide ligand Deposited 2009-07-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–83（83 aa）
Fragment：SH3 domain (UNP residues 1-83)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 10.5；293 K；100mM CAPS, 2M ammonium sulfate, 0.2M lithium sulfate, pH 10.5, VAPOR DIFFUSION, temperature 293.0K
|
Resolution 1.70 Å R-free 0.223 |
| 3I5S Crystal structure of PI3K SH3 Deposited 2009-07-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–83（83 aa）
Fragment：SH3 domain (UNP residues 1-83)
|
Not recorded | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；293 K；100mM Na-citrate, 0.5M ammonium sulfate, 1M lithium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293.0K
|
Resolution 3.00 Å R-free 0.299 |
| 3I5S Crystal structure of PI3K SH3 Deposited 2009-07-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–83（83 aa）
Fragment：SH3 domain (UNP residues 1-83)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；293 K；100mM Na-citrate, 0.5M ammonium sulfate, 1M lithium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293.0K
|
Resolution 3.00 Å R-free 0.299 |
| 3I5S Crystal structure of PI3K SH3 Deposited 2009-07-06 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–83（83 aa）
Fragment：SH3 domain (UNP residues 1-83)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；293 K；100mM Na-citrate, 0.5M ammonium sulfate, 1M lithium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293.0K
|
Resolution 3.00 Å R-free 0.299 |
| 3I5S Crystal structure of PI3K SH3 Deposited 2009-07-06 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
1–83（83 aa）
Fragment：SH3 domain (UNP residues 1-83)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；293 K；100mM Na-citrate, 0.5M ammonium sulfate, 1M lithium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293.0K
|
Resolution 3.00 Å R-free 0.299 |
| 4A55 Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108 Deposited 2011-10-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：NISH2, RESIDUES 322-600
|
Not recorded | P08 PIK-108 × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；0.1 M NAK PHOSPHATE PH 6.4, 0.14 M NH4H2SO4, 0.1 M NA FORMATE, 0.42 M NA2SO4, 15% ETHYLENE GLYCOL
|
Resolution 3.50 Å R-free 0.228 |
| 4JPS Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors Deposited 2013-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
307–593（287 aa）
|
Not recorded | SCN THIOCYANATE ION × 1 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；303 K；12% PEG 3350, 120MM KSCN, 6uL protein to 4uL well with streak seeding at 18C
, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K
|
Resolution 2.20 Å R-free 0.228 |
| 4L1B Crystal Structure of p110alpha complexed with niSH2 of p85alpha Deposited 2013-06-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：niSH2 of p85alpha, UNP residues 318-615
|
Not recorded | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K
|
Resolution 2.59 Å R-free 0.274 |
| 4L23 Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 Deposited 2013-06-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：niSH2 of p85alpha, UNP residues 318-615
|
Not recorded | X6K 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K
|
Resolution 2.50 Å R-free 0.273 |
| 4L2Y Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d Deposited 2013-06-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：niSH2 of p85alpha, UNP residues 318-615
|
Not recorded | XXK 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.15 M Lithium sulfate, 0.1 M Tris PH 8.5, 30%(W/V) PEG 1000MME, vapor diffusion, hanging drop, temperature 291K
|
Resolution 2.80 Å R-free 0.271 |
| 4OVU Crystal Structure of p110alpha in complex with niSH2 of p85alpha Deposited 2014-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：UNP residues 322-600
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；NaFormate
|
Resolution 2.96 Å R-free 0.272 |
| 4OVV Crystal Structure of PI3Kalpha in complex with diC4-PIP2 Deposited 2014-01-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：UNP residues 322-600
|
Not recorded | PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；NaFormate
|
Resolution 3.50 Å R-free 0.339 |
| 4WAF Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha Deposited 2014-08-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–317（316 aa）
Fragment：UNP residues 2-317
|
Mutation：T12Y | 3K6 N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；303.15 K；12% PEG 3350, 120mM potassium thiocyanate
|
Resolution 2.39 Å R-free 0.247 |
| 4YKN Pi3K alpha lipid kinase with Active Site Inhibitor Deposited 2015-03-04 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
318–615（298 aa）
Fragment：UNP P27986 residues 318-615, LINKER (GSPGISGGGGG), P42336 residues 2-1068
|
Not recorded | 4EL 3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；ethylenene glycol, PIP2
|
Resolution 2.90 Å R-free 0.247 |
| 4ZOP Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor Deposited 2015-05-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–290（290 aa）
|
Not recorded | 4Q2 (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；303 K；12% PEG 3350, 120MM KSCN, 6UL PROTEIN TO 4UL WELL WITH STREAK SEEDING AT 18C , PH 7.5, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.62 Å R-free 0.258 |
| 5AUL PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex Deposited 2015-04-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
622–728（107 aa）
Fragment：UNP residues 614-720
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Sodium Acetate trihydrate, 200 mM Ammonium Acetate, 30% PEG4000
|
Resolution 1.10 Å R-free 0.160 |
| 5FI4 Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model Deposited 2015-12-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–317（316 aa）
Fragment：UNP residues 2-317
|
Not recorded | GOL GLYCEROL × 1 5XV ~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；303.15 K；12.5% PEG 3350, 125 mM KSCN
Drops were 5uL protein: 3uL well solutions
and streak seeded.
|
Resolution 2.50 Å R-free 0.245 |
| 5GJI PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex Deposited 2016-06-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
325–430（106 aa）
Fragment：UNP residues 325-430
|
Mutation：D330N | SO4 SULFATE ION × 3 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；100mM Sodium acetate trihydrate, 30% PEG MME 2000, 200mM Ammonium sulfate
|
Resolution 0.90 Å R-free 0.145 |
| 5ITD Crystal structure of PI3K alpha with PI3K delta inhibitor Deposited 2016-03-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–317（316 aa）
Fragment：UNP residues 2-317
|
Not recorded | 6CY 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303.15 K；3 uL of protein was mixed with 5 uL of well solution containing 12% PEG 3350 and
120 mM potassium thiocyanate
|
Resolution 3.02 Å R-free 0.241 |
| 5M6U HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 Deposited 2016-10-26 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–724（724 aa）
Fragment：UNP residues 431-599
|
Not recorded | 7KA 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；NULL
|
Resolution 2.85 Å R-free 0.309 |
| 5SW8 Crystal structure of PI3Kalpha in complex with fragments 7 and 11 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 70S 2H-indazol-5-amine × 1 FB1 2-CHLOROBENZENESULFONAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.30 Å R-free 0.298 |
| 5SWG Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | AX7 1H-benzimidazol-2-amine × 1 CAQ CATECHOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.11 Å R-free 0.262 |
| 5SWO Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | CL CHLORIDE ION × 1 70T 2-methyl-5-nitro-1H-indole × 1 2ZV 4-methyl-3-nitropyridin-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.50 Å R-free 0.274 |
| 5SWP Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | 70W tert-butyl 4-aminopiperidine-1-carboxylate × 2 70V 2-methylcyclohexane-1,3-dione × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.41 Å R-free 0.296 |
| 5SWR Crystal Structure of PI3Kalpha in complex with fragments 20 and 26 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | 718 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one × 1 CL CHLORIDE ION × 2 SAL 2-HYDROXYBENZOIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.31 Å R-free 0.273 |
| 5SWT Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 Deposited 2016-08-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | 71A pyridin-3-ol × 1 71B 3-fluoro-4-methoxyaniline × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.49 Å R-free 0.285 |
| 5SX8 Crystal Structure of PI3Kalpha in complex with fragments 12 and 15 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71M 6-methylpyridin-2-amine × 2 LUZ pteridine-2,4(1H,3H)-dione × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.47 Å R-free 0.276 |
| 5SX9 Crystal Structure of PI3Kalpha in complex with fragment 14 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71L 4,6-dimethylpyridin-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.52 Å R-free 0.277 |
| 5SXA Crystal Structure of PI3Kalpha in complex with fragment 10 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71N 2-(trifluoromethyl)-1H-benzimidazol-5-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.35 Å R-free 0.275 |
| 5SXB Crystal Structure of PI3Kalpha in complex with fragment 23 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | SOA ISATOIC ANHYDRIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.30 Å R-free 0.278 |
| 5SXC Crystal Structure of PI3Kalpha in complex with fragment 8 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | URF 5-FLUOROURACIL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.55 Å R-free 0.268 |
| 5SXD Crystal Structure of PI3Kalpha in complex with fragment 22 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71F 2-methoxybenzoic acid × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.50 Å R-free 0.276 |
| 5SXE Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71G 3-aminobenzonitrile × 1 ES3 4-bromo-1H-imidazole × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.51 Å R-free 0.271 |
| 5SXF Crystal Structure of PI3Kalpha in complex with fragment 9 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | HPP HYDROXYPHENYL PROPIONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.46 Å R-free 0.267 |
| 5SXI Crystal Structure of PI3Kalpha in complex with fragment 13 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71J trans-cyclohexane-1,4-diol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.40 Å R-free 0.279 |
| 5SXJ Crystal Structure of PI3Kalpha in complex with fragment 29 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | BHO BENZHYDROXAMIC ACID × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.42 Å R-free 0.279 |
| 5SXK Crystal Structure of PI3Kalpha in complex with fragment 18 Deposited 2016-08-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
Fragment：residues 322-600
|
Not recorded | 71K 2-methylbenzene-1,3-diamine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；NaFormate
|
Resolution 3.55 Å R-free 0.278 |
| 5UBT CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE Deposited 2016-12-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
432–599（168 aa）
|
Not recorded | 85S 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；NULL
|
Resolution 2.83 Å R-free 0.268 |
| 5UK8 The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR Deposited 2017-01-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–293（293 aa）
|
Mutation：T6Y | 8DV (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303.15 K；3 UL OF PROTEIN WAS MIXED WITH 5 UL OF WELL SOLUTION CONTAINING 12% PEG 3350 AND 120 MM POTASSIUM THIOCYANATE, PH 7.2, VAPOR DIFFUSION, HANGING DROP,
TEMPERATURE 303.15K
|
Resolution 2.50 Å R-free 0.240 |
| 5UKJ The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR Deposited 2017-01-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–293（293 aa）
|
Not recorded | 3K6 N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303.15 K；3 UL OF PROTEIN WAS MIXED WITH 5 UL OF WELL SOLUTION CONTAINING 12% PEG 3350 AND 120 MM POTASSIUM THIOCYANATE, PH 7.2, VAPOR DIFFUSION, HANGING DROP,
|
Resolution 2.80 Å R-free 0.252 |
| 5UL1 The co-structure of 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide and a rationally designed PI3K-alpha mutant that mimics ATR Deposited 2017-01-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–293（293 aa）
|
Not recorded | 8DY 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303.15 K；3 UL OF PROTEIN WAS MIXED WITH 5 UL OF WELL SOLUTION CONTAINING 12% PEG 3350 AND 120 MM POTASSIUM THIOCYANATE, PH 7.2, VAPOR DIFFUSION, HANGING DROP
|
Resolution 3.00 Å R-free 0.260 |
| 5VLR CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR Deposited 2017-04-26 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
431–600（170 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；300 K；NULL, VAPOR DIFFUSION, TEMPERATURE
293K
|
Resolution 2.80 Å R-free 0.279 |
| 5VLR CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR Deposited 2017-04-26 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
431–600（170 aa）
|
Not recorded | 9EM 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；300 K；NULL, VAPOR DIFFUSION, TEMPERATURE
293K
|
Resolution 2.80 Å R-free 0.279 |
| 5XGH Crystal structure of PI3K complex with an inhibitor Deposited 2017-04-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–598（277 aa）
Fragment：UNP residues 322-598
|
Not recorded | 84U 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.15M Lithium sulfate, 0.1M Tris-HCl pH 8.5, 28%(W/V) PEG2000MME
|
Resolution 2.97 Å R-free 0.280 |
| 5XGI Crystal structure of PI3K complex with an inhibitor Deposited 2017-04-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–598（277 aa）
Fragment：UNP residues 322-598
|
Not recorded | 84R 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol × 1 P6G HEXAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.15M Lithium sulfate, 0.1M Tris-HCl pH 8.5, 28%(W/V) PEG2000MME
|
Resolution 2.56 Å R-free 0.290 |
| 5XGJ Crystal structure of PI3K complex with an inhibitor Deposited 2017-04-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–599（278 aa）
Fragment：UNP residues 322-598
|
Not recorded | 84X 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.15M Lithium sulfate, 0.1M Tris-HCl pH 8.5, 28%(W/V) PEG2000MME
|
Resolution 2.97 Å R-free 0.279 |
| 6NCT Structure of p110alpha/niSH2 - vector data collection Deposited 2018-12-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | 144 TRIS-HYDROXYMETHYL-METHYL-AMMONIUM × 2 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Hepes, 1.4-1.6 M sodium formate
|
Resolution 3.35 Å R-free 0.271 |
| 6PYR Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) Deposited 2019-07-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
131–299（169 aa）
Fragment：UNP residues 131-299
|
Not recorded | P5J (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；12-14% PEG6000, 100 mM MES/NaOH, pH 5.75, 5 mM DTT
|
Resolution 2.21 Å R-free 0.259 |
| 6PYU Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one) Deposited 2019-07-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
131–299（169 aa）
Fragment：UNP residues 131-299
|
Not recorded | P5V (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；not available
|
Resolution 2.54 Å R-free 0.292 |
| 7CIO Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase Deposited 2020-07-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
614–720（107 aa）
|
Mutation：C656S, C659V, C670L | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.2 M ammonium acetate, 0.1 M sodium acetate trihydrate pH 4.6, 30% PEG 4000
|
Resolution 1.10 Å R-free 0.179 |
| 7LM2 HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C Deposited 2021-02-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
131–299（169 aa）
|
Not recorded | Y5Y cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；12-14% PEG6000, 100 MM MES/NAOH, PH 5.75, 5 MM DTT
|
Resolution 2.79 Å R-free 0.289 |
| 7LQ1 HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 Deposited 2021-02-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
131–299（169 aa）
|
Not recorded | YA7 N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES PH 6.0
|
Resolution 2.96 Å R-free 0.281 |
| 7MYN Cryo-EM Structure of p110alpha in complex with p85alpha Deposited 2021-05-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.79 Å |
| 7MYO Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 Deposited 2021-05-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.92 Å |
| 7PG5 Crystal Structure of PI3Kalpha Deposited 2021-08-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
307–593（287 aa）
|
Not recorded | PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；10% PEG 5K MME (w/v), 160 nM KSCN, 100 mM sodium cacodylate pH 6.5.
|
Resolution 2.20 Å R-free 0.246 |
| 7PG6 Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 Deposited 2021-08-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
307–593（287 aa）
|
Not recorded | 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 5000, 160 mM KSCN and 100 mM sodium cacodylate pH 6.5
|
Resolution 2.50 Å R-free 0.240 |
| 7RNS nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53 Deposited 2021-07-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
51–164（114 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；0.05 M cadmium sulfate hydrate, 0.1 M HEPES, pH 7.5, 1.0 M sodium acetate trihydrate
|
Resolution 1.14 Å R-free 0.147 |
| 7TZ7 PI3K alpha in complex with an inhibitor Deposited 2022-02-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–291（291 aa）
|
Not recorded | KVJ (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；303.15 K；0.15M Potassium Thiocyanate, 20% PEG 3350
|
Resolution 2.41 Å R-free 0.277 |
| 8DCP PI 3-kinase alpha with nanobody 3-126 Deposited 2022-06-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.41 Å |
| 8DCX PI 3-kinase alpha with nanobody 3-159 Deposited 2022-06-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 8DD4 PI 3-kinase alpha with nanobody 3-142 Deposited 2022-06-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8DD8 PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG Deposited 2022-06-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å |
| 8GUB Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 Deposited 2022-09-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.73 Å |
| 8H36 Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex Deposited 2022-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric（8） Consistent with protein count |
Chain G
1–724（724 aa）
Chain H
1–724（724 aa）
|
Not recorded | ZN ZINC ION × 6 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.60 Å |
| 8H37 Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex Deposited 2022-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 16 PDB declaration: hexadecameric（16） Consistent with protein count |
Chain G
1–724（724 aa）
Chain H
1–724（724 aa）
Chain I
1–724（724 aa）
Chain J
1–724（724 aa）
|
Not recorded | ZN ZINC ION × 12 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 8.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 7.52 Å |
| 8ILR Cryo-EM structure of PI3Kalpha in complex with compound 16 Deposited 2023-03-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | 7TZ N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.05 Å |
| 8ILS Cryo-EM structure of PI3Kalpha in complex with compound 17 Deposited 2023-03-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | 7U5 N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8ILV Cryo-EM structure of PI3Kalpha in complex with compound 18 Deposited 2023-03-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | L2V N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.19 Å |
| 8SBC Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors Deposited 2023-04-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–293（293 aa）
|
Not recorded | ZTV (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303 K；RESERVOIR SOLUTION : 12%-20% PEG 3350, 0.125M-0.20M KSCN
PROTEIN SOLUTION : 20MM TRIS PH 7.2, 200MM NACL, 1% BETAINE,
1% ETHYLENE GLYCOL, 0.02% CHAPS, 5MM DTT,
PROTEIN IS 7.4 MG/ML
FORMATION METHOD : SOAKING
PROTOCOL : SET UP APO XTALS DROPS IN 1:1 RATIO IN 30C,
REMARK 280 XTALS GROW OVERNIGHT, THEN ADD 2MM OF STOCK CPD AND INCUBATE FOR A FEW HOURS METHOD : VAPOR DIFFUSION - HANGING DROP
TEMPERATURE : 303.0
CRYO PROTOCOL : 20% ETHYLENE GLYCOL PLUS WELL SOLUTION
|
Resolution 2.30 Å R-free 0.271 |
| 8SBJ Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors Deposited 2023-04-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–293（293 aa）
|
Not recorded | ZUO (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；303 K；RESERVOIR SOLUTION : 12%-20% PEG 3350, 0.125M-0.20M KSCN; PROTEIN SOLUTION: 20MM TRIS PH 7.2, 200MM NACL, 1% BETAINE, 1% ETHYLENE GLYCOL, 0.02% CHAPS, 5MM DTT, PROTEIN IS 7.4 MG/ML, FORMATION METHOD : SOAKING, PROTOCOL: SET UP APO XTALS DROPS IN 1:1 RATIO IN 30C, XTALS GROW OVERNIGHT, THEN ADD 2MM OF STOCK CPD AND INCUBATE FOR A FEW HOURS; CRYO PROTOCOL: 20% ETHYLENE GLYCOL PLUS WELL SOLUTION
|
Resolution 3.10 Å R-free 0.257 |
| 8TDU STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha Deposited 2023-07-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
8–293（286 aa）
|
Not recorded | X3N N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide × 1 ZWE N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；0.1 M MES pH 6.8, 500mM NaCl, 8% w/v PEG 3350
|
Resolution 3.11 Å R-free 0.267 |
| 8TDU STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha Deposited 2023-07-05 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
8–293（286 aa）
|
Not recorded | X3N N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide × 1 ZWE N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；0.1 M MES pH 6.8, 500mM NaCl, 8% w/v PEG 3350
|
Resolution 3.11 Å R-free 0.267 |
| 8TGD STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha Deposited 2023-07-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
8–293（286 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 10 X3N N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide × 1 ZWE N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.5 M NaCl, 0.1 M MES-NaOH pH 6.8, 5% w/v PEG 3350
|
Resolution 2.93 Å R-free 0.252 |
| 8TGD STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha Deposited 2023-07-12 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
8–293（286 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 X3N N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide × 1 ZWE N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.5 M NaCl, 0.1 M MES-NaOH pH 6.8, 5% w/v PEG 3350
|
Resolution 2.93 Å R-free 0.252 |
| 8TS7 Human PI3K p85alpha/p110alpha Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 2.71 Å R-free 0.288 |
| 8TS8 p85alpha/p110alpha heterodimer H1047R mutant Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 2.72 Å R-free 0.265 |
| 8TS9 Human PI3K p85alpha/p110alpha H1047R bound to compound 1 Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | UE9 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 2.83 Å R-free 0.252 |
| 8TSA Human PI3K p85alpha/p110alpha H1047R bound to compound 2 Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | UIW 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 2.51 Å R-free 0.276 |
| 8TSB Human PI3K p85alpha/p110alpha bound to compound 2 Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | UIW 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 3.53 Å R-free 0.256 |
| 8TSC Human PI3K p85alpha/p110alpha H1047R bound to compound 3 Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | UJC (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 3.62 Å R-free 0.255 |
| 8TSD Human PI3K p85alpha/p110alpha bound to RLY-2608 Deposited 2023-08-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
318–615（298 aa）
Fragment：residues 318-615
|
Not recorded | XUZ N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Hepes pH 7.5, 9% PEG-3350
|
Resolution 2.70 Å R-free 0.277 |
| 8TU6 CryoEM structure of PI3Kalpha Deposited 2023-08-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–724（724 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.12 Å |
| 8V8H PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). Deposited 2023-12-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | YO4 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Sodium acetate, 0.1 M Sodium citrate pH 5.5, 4% w/v PEG 4000.
|
Resolution 3.58 Å R-free 0.272 |
| 8V8H PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). Deposited 2023-12-05 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
322–600（279 aa）
|
Not recorded | YO4 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Sodium acetate, 0.1 M Sodium citrate pH 5.5, 4% w/v PEG 4000.
|
Resolution 3.58 Å R-free 0.272 |
| 8V8I PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). Deposited 2023-12-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | YOR N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M Sodium Malonate pH 5.0, 10% w/v PEG 3350
|
Resolution 3.20 Å R-free 0.310 |
| 8V8I PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). Deposited 2023-12-05 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
322–600（279 aa）
|
Not recorded | YOR N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M Sodium Malonate pH 5.0, 10% w/v PEG 3350
|
Resolution 3.20 Å R-free 0.310 |
| 8V8J PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). Deposited 2023-12-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | YO4 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid × 1 YOR N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；289 K；0.4M Sodium Formate, 0.1 M Sodium Citrate, pH 5.2
|
Resolution 3.35 Å R-free 0.251 |
| 8V8J PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). Deposited 2023-12-05 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
322–600（279 aa）
|
Not recorded | YO4 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid × 1 YOR N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide × 1 YNZ (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；289 K；0.4M Sodium Formate, 0.1 M Sodium Citrate, pH 5.2
|
Resolution 3.35 Å R-free 0.251 |
| 8V8U PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). Deposited 2023-12-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 YQB (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.3-0.6 M Sodium Formate, 0.1 M Citrate pH 5.0
|
Resolution 2.93 Å R-free 0.255 |
| 8V8U PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). Deposited 2023-12-06 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
322–600（279 aa）
|
Not recorded | 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 YQB (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.3-0.6 M Sodium Formate, 0.1 M Citrate pH 5.0
|
Resolution 2.93 Å R-free 0.255 |
| 8V8V PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). Deposited 2023-12-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | YQ2 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid × 1 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.6 M Sodium Formate, 0.1 M Citrate pH 5.0
|
Resolution 2.61 Å R-free 0.288 |
| 8V8V PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). Deposited 2023-12-06 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
322–600（279 aa）
|
Not recorded | YQ2 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid × 1 1LT (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.6 M Sodium Formate, 0.1 M Citrate pH 5.0
|
Resolution 2.61 Å R-free 0.288 |
| 8W9A CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site Deposited 2023-09-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–724（724 aa）
|
Not recorded | UEX 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 8W9B CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site Deposited 2023-09-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
322–600（279 aa）
|
Not recorded | UJ3 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 9LWQ Cryo-EM structure of PI3Kalpha in complex with compound UCL-TRO-1938 Deposited 2025-02-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | QIH 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.17 Å |
| 9LWR Cryo-EM structure of PI3Kalpha H1047R in complex with compound UCL-TRO-1938 Deposited 2025-02-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 9LWS Cryo-EM structure of PI3Kalpha H1047R in complex with compound UCL-TRO-1938 Deposited 2025-02-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
3–724（722 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.94 Å |
| 9NI6 Cryo-EM structure of the Class 1 PI3K alpha/KRas complex on POPC/POPS nanodiscs Deposited 2025-02-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–724（724 aa）
|
Not recorded | A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.01 Å |
| 9NI8 Cryo-EM structure of the Class 2 PI3K alpha/KRas complex on POPC/POPS nanodiscs Deposited 2025-02-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–724（724 aa）
|
Not recorded | A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 9NLC Cryo-EM structure of the Class 1 PI3K alpha/KRas complex on POPC/POPS nanodiscs low-pass filtered to 10 angstroms Deposited 2025-03-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–724（724 aa）
|
Not recorded | A1AZD tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate × 1 MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；50 mM Tris-HCL, 150 mM NaCl, 1mM TCEP
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 10.00 Å |