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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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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7W5R
| KRAS G12V and peptide complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, LEU-TYR-ASP-VAL-ALA, ... | Authors: | Kim, H.J, Han, C.W, Jang, S.B. | Deposit date: | 2021-11-30 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.87 Å) | Cite: | Structural basis of the oncogenic KRAS mutant and GJ101 complex. Biochem.Biophys.Res.Commun., 641, 2023
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4XVQ
| H-Ras Y137E | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2015-01-27 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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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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7VV9
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7VVG
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7VV8
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4XVR
| H-Ras Y137F | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Mattos, C. | Deposit date: | 2015-01-27 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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7WZC
| An open conformation Form2 of switch II for RhoA GDP-bound state | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jiang, H, Luo, C. | Deposit date: | 2022-02-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79944921 Å) | Cite: | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region. J.Struct.Biol., 215, 2023
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7WZA
| An open conformation Form 1 of switch II for RhoA | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | Authors: | Jiang, H, Luo, C. | Deposit date: | 2022-02-17 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.50028777 Å) | Cite: | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region. J.Struct.Biol., 215, 2023
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7XQV
| The complex of nanobody Rh57 binding to GTP-bound RhoA active form | Descriptor: | ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Zhang, Y.R, Liu, R, Ding, Y. | Deposit date: | 2022-05-09 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insights into the binding of nanobody Rh57 to active RhoA-GTP Biochem.Biophys.Res.Commun., 616, 2022
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3V4F
| H-Ras PEG 400/CaCl2, ordered off | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2011-12-14 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.391 Å) | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
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3X1W
| Ras-related protein Rap1B with GDP | Descriptor: | CADMIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Akashi, S, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3X1Y
| Ras-related protein Rap1B(L9V) with GppNHp | Descriptor: | CADMIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3X1X
| Ras-related protein Rap1B with GppNHp | Descriptor: | CADMIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3X1Z
| Ras-related protein Rap1B(T65A) with GppNHp | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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421P
| THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Krengel, U, John, J, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | Deposit date: | 1991-06-06 | Release date: | 1994-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules. Cell(Cambridge,Mass.), 62, 1990
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6D4G
| N-GTPase domain of p190RhoGAP-A | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 35 | Authors: | Stiegler, A.L, Boggon, T.J. | Deposit date: | 2018-04-18 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The N-Terminal GTPase Domain of p190RhoGAP Proteins Is a PseudoGTPase. Structure, 26, 2018
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6D71
| Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2018-04-23 | Release date: | 2019-10-09 | Last modified: | 2022-10-05 | Method: | X-RAY DIFFRACTION (1.7180779 Å) | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase. J.Struct.Biol., 212, 2020
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7XKJ
| Kras-G12D-GDP-MRTX1133 by FIB-MicroED | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, KRAS proto-oncogene, ... | Authors: | Li, X.M. | Deposit date: | 2022-04-19 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | Kras-G12D-GDP-MRTX1133 by FIB-MicroED To Be Published
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7YCE
| KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCC
| KRas G12C in complex with Compound 5c | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YV1
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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