1XJ0
 
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4EPW
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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3RSL
 | | H-Ras soaked in 90% R,S,R-bisfuranol: one of 10 in MSCS set | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | | 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 (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS7
 | | H-Ras soaked in 50% isopropanol: 1 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 (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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6D59
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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3RS4
 | | H-Ras soaked in 60% 1,6-hexanediol: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, HEXANE-1,6-DIOL, ... | | 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 (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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6D5L
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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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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2ERY
 | | The crystal structure of the Ras related protein RRas2 (RRAS2) in the GDP bound state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras2 | | Authors: | Salah, E, Schoch, G, Turnbull, A, Papagrigoriou, E, Soundararajan, M, Burgess, N, Elkins, J, Gileadi, C, Gileadi, O, von Delft, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-25 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of the Ras related protein RRas2 (RRAS2) in the GDP bound state
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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4Q02
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | Deposit date: | 2014-03-31 | | Release date: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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4M1T
 | | Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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6GOD
 | | KRAS full length wild-type GPPNHP | | Descriptor: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7G8X
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416571195 | | Descriptor: | 2-(cyclopentylamino)pyridine-4-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 (1.711 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7TLK
 | | Crystal Structure of K-Ras(G12S) | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-01-18 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71102226 Å) | | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
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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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5V6V
 | | Crystal structure of small molecule aziridine 3 covalently bound to K-Ras G12C | | Descriptor: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-17 | | Release date: | 2017-06-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
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5IRC
 | | p190A GAP domain complex with RhoA | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Derewenda, U, Derewenda, Z. | | Deposit date: | 2016-03-12 | | Release date: | 2016-08-17 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS.
J.Biol.Chem., 291, 2016
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8CX5
 | | Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | Authors: | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
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6T5U
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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5WPM
 | | KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | | Deposit date: | 2017-08-05 | | Release date: | 2018-01-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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4DLW
 | | H-Ras Set 2 Ca(OAc)2/DTT, on | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 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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5WLB
 | | KRas G12V, bound to GppNHp and miniprotein 225-15a/b | | Descriptor: | 225-15 a, 225-15 b, GTPase KRas, ... | | Authors: | Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. | | Deposit date: | 2017-07-26 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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6N2K
 | | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | | Descriptor: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Vigers, G.P. | | Deposit date: | 2018-11-13 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
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8I5V
 | | DOCK10 mutant L1903Y complexed with Rac1 | | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (1.726 Å) | | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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