8SU8
 
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8STN
 | | Crystal structure of KRAS-G12D/G75A mutant, GDP-bound | | Descriptor: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2023-05-10 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
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8STM
 | | Crystal structure of KRAS-G75A mutant, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2023-05-10 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
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8S8C
 | | Structure of Kras in complex with inhibitor MK-1084 | | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Day, P.J, Cleasby, A. | | Deposit date: | 2024-03-06 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
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8RUY
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8R7X
 | | Kras G12D in complex with compound 4 | | Descriptor: | 8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Zak, K.M. | | Deposit date: | 2023-11-27 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Kras G12D in complex with compound 4
To Be Published
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8R7W
 | | Kras G12D in complex with compound 3 | | Descriptor: | 8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Zak, K.M, Kessler, D. | | Deposit date: | 2023-11-27 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.161 Å) | | Cite: | Kras G12D in complex with compound 3
To Be Published
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8QW7
 | | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[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-oxazol-5-yl]-3-methyl-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 (2.36 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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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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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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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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8QEJ
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8QEI
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8QE7
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8QDW
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8QDT
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8QDS
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8QDP
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8QDK
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8Q0N
 | | HACE1 in complex with RAC1 Q61L | | Descriptor: | E3 ubiquitin-protein ligase HACE1, GUANOSINE-5'-TRIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ... | | Authors: | Wolter, M, Duering, J, Dienemann, C, Lorenz, S. | | Deposit date: | 2023-07-28 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
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8PIY
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8PI0
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8OSO
 | | GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure | | Descriptor: | 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | | Deposit date: | 2023-04-19 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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8OSN
 | | GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | | Deposit date: | 2023-04-19 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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