Do data resources managed by EMBL-EBI and our collaborators make a difference to your work? Please take 10 minutes to fill in our annual user survey, and help us make the case for why sustaining open data resources is critical for life sciences research. We appreciate your responses prior to closing of the survey on Monday 17th June.
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
Resolution: 2.7 Å
EM Method: Single-particle
Fitted PDBs: 8w9a
Q-score: 0.591
Huang X, Wang K, Han J, Chen X, Wang Z, Wu T, Yu B, Zhao F, Wang X, Li H, Xie Z, Zhu X, Zhong W, Ren X
Structure (2024) [ DOI: doi:10.1016/j.str.2024.03.007 Pubmed: 38582077 ]
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (124 kDa, Protein from Homo sapiens)
- Human pi3k-alpha (p85/p110-h1047r) with qr-7909 binding at an allosteric site (Complex from Homo sapiens)
- 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 (490 Da, Ligand)
- Water (18 Da, Ligand)
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
Resolution: 3.0 Å
EM Method: Single-particle
Fitted PDBs: 8w9b
Q-score: 0.496
Huang X, Wang K, Han J, Chen X, Wang Z, Wu T, Yu B, Zhao F, Wang X, Li H, Xie Z, Zhu X, Zhong W, Ren X
Structure (2024) [ DOI: doi:10.1016/j.str.2024.03.007 Pubmed: 38582077 ]
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (124 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (33 kDa, Protein from Homo sapiens)
- 1-[(1s)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea (395 Da, Ligand)
- Human pi3k-alpha (p85/p110-h1047r) with qr-8557 binding at an allosteric site (Complex from Homo sapiens)
Resolution: 3.12 Å
EM Method: Single-particle
Fitted PDBs: 8tu6
Q-score: 0.525
Varkaris A, Pazolli E, Gunaydin H, Wang Q, Pierce L, Boezio AA, Bulku A, DiPietro L, Fridrich C, Frost A, Giordanetto F, Hamilton EP, Harris K, Holliday M, Hunter TL, Iskandar A, Ji Y, Larivee A, LaRochelle JR, Lescarbeau A, Llambi F, Lormil B, Mader MM, Mar BG, Martin I, McLean TH, Michelsen K, Pechersky Y, Puente-Poushnejad E, Raynor K, Rogala D, Samadani R, Schram AM, Shortsleeves K, Swaminathan S, Tajmir S, Tan G, Tang Y, Valverde R, Wehrenberg B, Wilbur J, Williams BR, Zeng H, Zhang H, Walters WP, Wolf BB, Shaw DE, Bergstrom DA, Watters J, Fraser JS, Fortin PD, Kipp DR
Cancer Discov (2024) 14 pp. 240-257 [ DOI: doi:10.1158/2159-8290.CD-23-0944 Pubmed: 37916956 ]
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- P85 (Complex from Homo sapiens)
- Pi3kalpha (850 kDa, Complex from Homo sapiens)
- P110 (Complex from Homo sapiens)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (126 kDa, Protein from Homo sapiens)
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
Resolution: 4.6 Å
EM Method: Single-particle
Fitted PDBs: 8h36
Q-score: 0.068
Hu Y, Zhang Z, Mao Q, Zhang X, Hao A, Xun Y, Wang Y, Han L, Zhan W, Liu Q, Yin Y, Peng C, Moresco EMY, Chen Z, Beutler B, Sun L
Nat Struct Mol Biol (2024) 31 pp. 336-350 [ Pubmed: 38332366 DOI: doi:10.1038/s41594-023-01182-6 ]
- Kelch repeat and btb domain-containing protein 2 (71 kDa, Protein from Homo sapiens)
- Kbtbd2-cul3-rbx1-p85a dimeric complex (Complex from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Cullin-3 (89 kDa, Protein from Homo sapiens)
- E3 ubiquitin-protein ligase rbx1 (12 kDa, Protein from Homo sapiens)
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
Resolution: 7.52 Å
EM Method: Single-particle
Fitted PDBs: 8h37
Q-score: 0.057
Hu Y, Zhang Z, Mao Q, Zhang X, Hao A, Xun Y, Wang Y, Han L, Zhan W, Liu Q, Yin Y, Peng C, Moresco EMY, Chen Z, Beutler B, Sun L
Nat Struct Mol Biol (2024) 31 pp. 336-350 [ Pubmed: 38332366 DOI: doi:10.1038/s41594-023-01182-6 ]
- Kelch repeat and btb domain-containing protein 2 (71 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Kbtbd2-cul3-rbx1-p85a tetrameric complex (Complex from Homo sapiens)
- Zinc ion (65 Da, Ligand)
- Cullin-3 (89 kDa, Protein from Homo sapiens)
- E3 ubiquitin-protein ligase rbx1 (12 kDa, Protein from Homo sapiens)
Cryo-EM structure of PI3Kalpha in complex with compound 17
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8ils
Q-score: 0.541
Zhou Q, Liu X, Neri D, Li W, Favalli N, Bassi G, Yang S, Yang D, Vogt PK, Wang MW
PNAS (2023) 120 pp. e2304071120-e2304071120 [ Pubmed: 37585458 DOI: doi:10.1073/pnas.2304071120 ]
- N-[(2r)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide (528 Da, Ligand)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (127 kDa, Protein from Homo sapiens)
- Human pi3kalpha in complex with compound 17 (Complex from Homo sapiens)
Cryo-EM structure of PI3Kalpha in complex with compound 18
Resolution: 3.19 Å
EM Method: Single-particle
Fitted PDBs: 8ilv
Q-score: 0.492
Zhou Q, Liu X, Neri D, Li W, Favalli N, Bassi G, Yang S, Yang D, Vogt PK, Wang MW
PNAS (2023) 120 pp. e2304071120-e2304071120 [ Pubmed: 37585458 DOI: doi:10.1073/pnas.2304071120 ]
- Human pi3kalpha in complex with compound 18 (Complex from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (127 kDa, Protein from Homo sapiens)
- N-[(2r)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide (528 Da, Ligand)
Cryo-EM structure of PI3Kalpha in complex with compound 16
Resolution: 3.05 Å
EM Method: Single-particle
Fitted PDBs: 8ilr
Q-score: 0.506
Zhou Q, Liu X, Neri D, Li W, Favalli N, Bassi G, Yang S, Yang D, Vogt PK, Wang MW
PNAS (2023) 120 pp. e2304071120-e2304071120 [ Pubmed: 37585458 DOI: doi:10.1073/pnas.2304071120 ]
- Human pi3kalpha in complex with compound 16 (Complex from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (127 kDa, Protein from Homo sapiens)
- Water (18 Da, Ligand)
- N-[(2s)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide (528 Da, Ligand)
Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
Resolution: 2.73 Å
EM Method: Single-particle
Fitted PDBs: 8gub
Q-score: 0.531
Liu X, Zhou Q, Hart JR, Xu Y, Yang S, Yang D, Vogt PK, Wang MW
PNAS (2022) 119 pp. e2215621119-e2215621119 [ Pubmed: 36343266 DOI: doi:10.1073/pnas.2215621119 ]
- Human pi3kalpha mutant h1047r in complex with byl-719 (Complex from Homo sapiens)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (127 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- (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 (441 Da, Ligand)
PI 3-kinase alpha with nanobody 3-126
Resolution: 2.41 Å
EM Method: Single-particle
Fitted PDBs: 8dcp
Q-score: 0.584
Hart JR, Liu X, Pan C, Liang A, Ueno L, Xu Y, Quezada A, Zou X, Yang S, Zhou Q, Schoonooghe S, Hassanzadeh-Ghassabeh G, Xia T, Shui W, Yang D, Vogt PK, Wang MW
PNAS (2022) 119 pp. e2210769119-e2210769119 [ DOI: doi:10.1073/pnas.2210769119 Pubmed: 36095215 ]
- Water (18 Da, Ligand)
- Phosphatidylinositol 3-kinase regulatory subunit alpha (83 kDa, Protein from Homo sapiens)
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (127 kDa, Protein from Homo sapiens)
- Human pi 3-kinase alpha complex composed of p110alpha and p85alpha with nanobody 3-126 bound (Complex from Homo sapiens)