1EK0
 
 | | GPPNHP-BOUND YPT51 AT 1.48 A RESOLUTION | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICKEL (II) ION, ... | | Authors: | Esters, H, Scheidig, A.J. | | Deposit date: | 2000-03-06 | | Release date: | 2000-04-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | High-resolution crystal structure of S. cerevisiae Ypt51(DeltaC15)-GppNHp, a small GTP-binding protein involved in regulation of endocytosis.
J.Mol.Biol., 298, 2000
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7R0N
 | | KRasG12C in complex with GDP and compound 2 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7R0M
 | | KRasG12C in complex with GDP and JDQ443 | | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7R0Q
 | | KRasG12C in complex with GDP and compound 3 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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9O0R
 | | Crystal structure of wild-type KRAS (GDP-bound) in complex with MRTX849 (adagrasib) | | Descriptor: | ACETATE ION, Adagrasib, GTPase KRas, ... | | Authors: | Chan, A.H, Ashraf, M, Simanshu, D.K. | | Deposit date: | 2025-04-03 | | Release date: | 2025-06-25 | | Last modified: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Biophysical and structural analysis of KRAS switch-II pocket inhibitors reveals allele-specific binding constraints.
J.Biol.Chem., 301, 2025
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3RAB
 | | GPPNHP-BOUND RAB3A AT 2.0 A RESOLUTION | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (RAB3A) | | Authors: | Dumas, J.J, Zhu, Z, Connolly, J.L, Lambright, D.G. | | Deposit date: | 1998-11-16 | | Release date: | 1999-04-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of activation and GTP hydrolysis in Rab proteins.
Structure Fold.Des., 7, 1999
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9O0S
 | | Crystal structure of KRAS-Q61R mutant, GMPPNP-bound | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Chan, A.H, Davies, D, Abendroth, J, Simanshu, D.K. | | Deposit date: | 2025-04-03 | | Release date: | 2025-06-25 | | Last modified: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Biophysical and structural analysis of KRAS switch-II pocket inhibitors reveals allele-specific binding constraints.
J.Biol.Chem., 301, 2025
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9KPN
 | | Crystal structure of KRAS-G12C in complex with Compound 20 (JAB-20) | | Descriptor: | 7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Li, S, Dang, C, Fan, X, Zhang, W, Wang, P, Qian, D, Wang, Y, Li, A. | | Deposit date: | 2024-11-23 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design, Structure Optimization, and Preclinical Characterization of JAB-21822, a Covalent Inhibitor of KRAS G12C.
J.Med.Chem., 68, 2025
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3RS0
 | | H-Ras soaked in neat cyclopentanol: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS2
 | | H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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9KPM
 | | Crystal structure of KRAS-G12C in complex with compound 16 (JAB-16) | | Descriptor: | 7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Li, S, Dang, C, Fan, X, Zhang, W, Wang, P, Qian, D, Wang, Y, Li, A. | | Deposit date: | 2024-11-23 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Design, Structure Optimization, and Preclinical Characterization of JAB-21822, a Covalent Inhibitor of KRAS G12C.
J.Med.Chem., 68, 2025
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3RWM
 | | Crystal Structure of Ypt32 in Complex with GppNHp | | Descriptor: | GTP-binding protein YPT32/YPT11, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Sultana, A, Dregger, C, Jin, Y, Franklin, E, Weisman, L.S, Khan, A.R. | | Deposit date: | 2011-05-09 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The activation cycle of Rab GTPase Ypt32 reveals structural determinants of effector recruitment and GDI binding.
Febs Lett., 585, 2011
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3RWO
 | | Crystal structure of YPT32 in complex with GDP | | Descriptor: | GTP-binding protein YPT32/YPT11, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Sultana, A, Jin, Y, Dregger, C, Franklin, E, Weisman, L.S, Khan, A.R. | | Deposit date: | 2011-05-09 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The activation cycle of Rab GTPase Ypt32 reveals structural determinants of effector recruitment and GDI binding.
Febs Lett., 585, 2011
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3SBE
 | | Crystal structure of RAC1 P29S mutant | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2011-06-03 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
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3SEA
 | | Structure of Rheb-Y35A mutant in GDP- and GMPPNP-bound forms | | Descriptor: | ACETATE ION, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mazhab-Jafari, M.T, Marshall, C.B, Ishiyama, N, Vuk, S, Ikura, M. | | Deposit date: | 2011-06-10 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Autoinhibited Noncanonical Mechanism of GTP Hydrolysis by Rheb Maintains mTORC1 Homeostasis.
Structure, 20, 2012
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5KYK
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
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5LEF
 | | Rab6A:Kif20A complex | | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ISOPROPYL ALCOHOL, ... | | Authors: | Bressanelli, G, Pylypenko, O, Houdusse, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Coupling fission and exit of RAB6 vesicles at Golgi hotspots through kinesin-myosin interactions.
Nat Commun, 8, 2017
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5MLB
 | | Crystal structure of human RAS in complex with darpin K27 | | Descriptor: | DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | | Deposit date: | 2016-12-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
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5MLA
 | | Crystal structure of human RAS in complex with darpin K55 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | | Deposit date: | 2016-12-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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7JIF
 | | HRAS A59T GppNHp | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.757 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIH
 | | HRAS A59E GppNHp | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JII
 | | HRAS A59E GDP | | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.532 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7JIG
 | | HRAS A59T GppNHp crystal 2 | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Johnson, C.W, Haigis, K.M. | | Deposit date: | 2020-07-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
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7VV9
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