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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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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5CIW
| Ran GDP Y39A mutant monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CIQ
| Ran GDP wild type tetragonal crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CIT
| Ran GDP wild type monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5C4M
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5EZ5
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5F2E
| Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
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5EZ6
| Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | Authors: | Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L. | Deposit date: | 2015-11-26 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA To Be Published
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6UKA
| Crystal structure of RHOG and ELMO complex | Descriptor: | Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jo, C.H, Killoran, R.C, Smith, M.J. | Deposit date: | 2019-10-04 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
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6USZ
| 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: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 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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6USX
| Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-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, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.27 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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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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6V6V
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6VC8
| Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. | Deposit date: | 2019-12-20 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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6V5L
| The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 | Descriptor: | (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. | Deposit date: | 2019-12-04 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate Chemical Biology & Drug Design, 94, 2019
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6WGN
| Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 | Descriptor: | Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ... | Authors: | Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H. | Deposit date: | 2020-04-06 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf. Acs Cent.Sci., 6, 2020
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6WGH
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6X1G
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4DLS
| H-Ras Set 1 CaCl2 'Mixed' | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2012-02-06 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.819 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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4DLU
| H-Ras Set 1 Ca(OAc)2, 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 (1.6 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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4DST
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DLR
| H-Ras PEG 400/Ca(OAc)2, ordered off | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 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 (1.319 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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