8GI6
 
 | | Crystal structure of RhoA mutant L69R complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | | Authors: | Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Ras-like GTPases mutant structures
To be published
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8GI3
 | | Crystal structure of RhoA mutant L69P complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | | Authors: | Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Ras-like GTPases mutants structure
To be published
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521P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION | | Authors: | Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 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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5B30
 | | H-Ras WT in complex with GppNHp (state 1) after structural transition by humidity control | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Kumasaka, T, Miyano, N, Baba, S, Matsumoto, S, Kataoka, T, Shima, F. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular Mechanism for Conformational Dynamics of Ras-GTP Elucidated from In-Situ Structural Transition in Crystal
Sci Rep, 6, 2016
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6UT0
 | | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Vigers, G.P, Smith, D.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
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6V6M
 | | Crystal structure of an inactive state of GMPPNP-bound RhoA | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Lin, Y, Zheng, Y. | | Deposit date: | 2019-12-05 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
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6V6U
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6FA3
 | | Antibody derived (Abd-6) small molecule binding to KRAS. | | Descriptor: | DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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6WGH
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6FA2
 | | Antibody derived (Abd-5) small molecule binding to KRAS. | | Descriptor: | 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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6GOE
 | | KRAS full length G12V GPPNHP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 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 (1.6 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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6GOG
 | | KRAS-169 Q61H GPPNHP | | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, 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 (2.05 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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6GJ5
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GOF
 | | KRAS full length G12D GPPNHP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 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 (1.98 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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6GQW
 | | KRAS-169 Q61H GPPNHP + CH-1 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 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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5C1T
 | | Crystal structure of the GTP-bound wild type EhRabX3 from Entamoeba histolytica | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Small GTPase EhRabX3 | | Authors: | Srivastava, V.K, Chandra, M, Datta, S. | | Deposit date: | 2015-06-15 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
J.Mol.Biol., 428, 2016
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5C4M
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5E95
 | | Crystal Structure of Mb(NS1)/H-Ras Complex | | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S. | | Deposit date: | 2015-10-14 | | Release date: | 2016-11-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
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6X1G
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8CPR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
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6WHE
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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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6WS4
 | | Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T.H, Simanshu, D.K. | | Deposit date: | 2020-04-30 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
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6WS2
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3OIW
 | | H-RasG12V with allosteric switch in the "on" state | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Kumar, S, Buhrman, G, Mattos, C. | | Deposit date: | 2010-08-20 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
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