8BE7
 
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8BE8
 | | Crystal structure of SOS1-HRas-peptidomimetic4 | | Descriptor: | FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ... | | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BE9
 | | Crystal structure of SOS1-HRas-peptidomimetic5 | | Descriptor: | CHLORIDE ION, FORMIC ACID, GTPase HRas, ... | | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BEA
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8BE6
 | | Crystal structure of SOS1-HRas-peptidomimetic2 | | Descriptor: | GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1 | | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.89880252 Å) | | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8AZR
 | | KRAS in complex with precursor 1 | | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8AZV
 | | KRAS in complex with BI-2865 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8AZY
 | | KRAS-G12D in complex with BI-2865 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8AZX
 | | KRAS-G12C in complex with BI-2865 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8B00
 | | KRAS-G13D in complex with BI-2865 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8EBZ
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8EPW
 | | Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2022-10-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
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8ONV
 | | KRAS-G13D in complex with BI-2493 | | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2023-04-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8IJ9
 | | Crystal structure of the ELKS1/Rab6B complex | | Descriptor: | ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jin, G, Wei, Z. | | Deposit date: | 2023-02-26 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation.
J.Biol.Chem., 299, 2023
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8AZZ
 | | KRAS-G12V in complex with BI-2865 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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8DGS
 | | Cryo-EM structure of a RAS/RAF complex (state 1) | | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Eck, M.J, Jeon, H, Park, E, Rawson, S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
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8DGT
 | | Cryo-EM structure of a RAS/RAF complex (state 2) | | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Eck, M.J, Jeon, H, Park, E, Rawson, S. | | Deposit date: | 2022-06-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
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8T1C
 | | Cryo-EM structure of human TRPV4 ankyrin repeat domain in complex with GTPase RhoA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4-Enhanced green fluorescent protein chimera | | Authors: | Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-06-02 | | Release date: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
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8FC7
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745 | | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FC9
 | | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FCB
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8B78
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
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8B6I
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
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7G9H
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 | | Descriptor: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.746 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G8Z
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027 | | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.509 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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