8QVU
 
 | | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
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8QU8
 | | PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Fischer, G, Peter, D, Arce-Solano, S. | | Deposit date: | 2023-10-14 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
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8QUG
 | | KRAS-G12C in Complex with Compound 1 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fischer, G, Kratochvil, B. | | Deposit date: | 2023-10-16 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
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8QW6
 | | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting cancer with small-molecule pan-KRAS degraders.
Science, 385, 2024
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6O9Z
 | | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Nguyen, H.C, Kenner, L.R, Frost, A.S. | | Deposit date: | 2019-03-15 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
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6O85
 | | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens | | Descriptor: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ... | | Authors: | Nguyen, H.C, Kenner, L.R, Frost, A.S. | | Deposit date: | 2019-03-08 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
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8CT1
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8CT9
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6CNI
 | | Crystal structure of H105A PGAM5 dimer | | Descriptor: | PHOSPHATE ION, SODIUM ION, Serine/threonine-protein phosphatase PGAM5, ... | | Authors: | Ruiz, K, Agnew, C, Jura, N. | | Deposit date: | 2018-03-08 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Functional role of PGAM5 multimeric assemblies and their polymerization into filaments.
Nat Commun, 10, 2019
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6CNL
 | | Crystal Structure of H105A PGAM5 Dodecamer | | Descriptor: | MAGNESIUM ION, PGAM5 Multimerization Motif Peptide, Serine/threonine-protein phosphatase PGAM5, ... | | Authors: | Ruiz, K, Agnew, C, Jura, N. | | Deposit date: | 2018-03-08 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional role of PGAM5 multimeric assemblies and their polymerization into filaments.
Nat Commun, 10, 2019
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8U30
 | | TRPV1 in nanodisc bound with diC8-PIP2 in the closed state | | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-06 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U3L
 | | TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U3C
 | | TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer) | | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U2Z
 | | TRPV1 in nanodisc bound with diC8-PIP2 in the dilated state | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, SODIUM ION, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-06 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U3J
 | | TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U4D
 | | TRPV1 in nanodisc bound with PI-Br4, consensus structure | | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-10 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U3A
 | | TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 1 (monomer) | | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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8U43
 | | TRPV1 in nanodisc bound with PIP2-Br4 | | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-08 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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7KDT
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8TU6
 | | CryoEM structure of PI3Kalpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Valverde, R, Shi, H, Holliday, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSA
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS8
 | | p85alpha/p110alpha heterodimer H1047R mutant | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSD
 | | Human PI3K p85alpha/p110alpha bound to RLY-2608 | | Descriptor: | 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, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSB
 | | Human PI3K p85alpha/p110alpha bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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