3CON
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![BU of 3con by Molmil](/molmil-images/mine/3con) | Crystal structure of the human NRAS GTPase bound with GDP | Descriptor: | GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, Shen, L, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-28 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Crystal structure of the human NRAS GTPase bound with GDP. To be Published
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4NMM
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![BU of 4nmm by Molmil](/molmil-images/mine/4nmm) | Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor | Descriptor: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION | Authors: | Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D. | Deposit date: | 2013-11-15 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc.Natl.Acad.Sci.USA, 111, 2014
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4O25
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![BU of 4o25 by Molmil](/molmil-images/mine/4o25) | Structure of Wild Type Mus musculus Rheb bound to GTP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M. | Deposit date: | 2013-12-16 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR). J.Biol.Chem., 289, 2014
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4O2L
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![BU of 4o2l by Molmil](/molmil-images/mine/4o2l) | Structure of Mus musculus Rheb G63A mutant bound to GTP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GTP-binding protein Rheb, ... | Authors: | Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M. | Deposit date: | 2013-12-17 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR). J.Biol.Chem., 289, 2014
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3BFK
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![BU of 3bfk by Molmil](/molmil-images/mine/3bfk) | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11 | Authors: | Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-21 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP. To be Published
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4O2R
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![BU of 4o2r by Molmil](/molmil-images/mine/4o2r) | Structure of Mus musculus Rheb G63V mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M. | Deposit date: | 2013-12-17 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR). J.Biol.Chem., 289, 2014
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4PHG
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![BU of 4phg by Molmil](/molmil-images/mine/4phg) | Crystal structure of Ypt7 covalently modified with GTP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ... | Authors: | Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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4PHH
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![BU of 4phh by Molmil](/molmil-images/mine/4phh) | Crystal structure of Ypt7 covalently modified with GNP | Descriptor: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine, CHLORIDE ION, GTP-binding protein YPT7, ... | Authors: | Wiegandt, D, Vieweg, S, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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3DZ8
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![BU of 3dz8 by Molmil](/molmil-images/mine/3dz8) | Crystal structure of human Rab3B GTPase bound with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-3B, UNKNOWN ATOM OR ION | Authors: | Shen, Y, Tong, Y, Sukumar, D, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-29 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human Rab3B GTPase bound with GDP To be Published
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4M21
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![BU of 4m21 by Molmil](/molmil-images/mine/4m21) | Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | Descriptor: | 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-05 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4PHF
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![BU of 4phf by Molmil](/molmil-images/mine/4phf) | Crystal structure of Ypt7 covalently modified with GDP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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3C5H
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![BU of 3c5h by Molmil](/molmil-images/mine/3c5h) | Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP) | Descriptor: | Glucocorticoid receptor DNA-binding factor 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-31 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP). To be Published
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4OBE
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![BU of 4obe by Molmil](/molmil-images/mine/4obe) | Crystal Structure of GDP-bound Human KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-01-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc.Natl.Acad.Sci.USA, 111, 2014
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3E5H
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![BU of 3e5h by Molmil](/molmil-images/mine/3e5h) | Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Lee, S.H, Baek, K, Li, Y, Dominguez, R. | Deposit date: | 2008-08-13 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Large nucleotide-dependent conformational change in Rab28. Febs Lett., 582, 2008
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/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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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, 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 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 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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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | 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 (1.88 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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4Q01
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![BU of 4q01 by Molmil](/molmil-images/mine/4q01) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | 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 (1.291 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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7LGI
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![BU of 7lgi by Molmil](/molmil-images/mine/7lgi) | The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, X, Gorfe, A.A, Putkey, J.A. | Deposit date: | 2021-01-20 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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7LC2
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![BU of 7lc2 by Molmil](/molmil-images/mine/7lc2) | |
7LZ5
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![BU of 7lz5 by Molmil](/molmil-images/mine/7lz5) | |
7DPJ
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![BU of 7dpj by Molmil](/molmil-images/mine/7dpj) | H-Ras Q61L in complex with GppNHp (state 1) after structural transition by humidity control | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Taniguchi, H, Matsumoto, S, Miyamoto, R, Kawamura, T, Kumasaka, T, Kataoka, T. | Deposit date: | 2020-12-19 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein. Biochem.Biophys.Res.Commun., 565, 2021
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7DPH
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![BU of 7dph by Molmil](/molmil-images/mine/7dph) | H-Ras Q61H in complex with GppNHp (state 1) after structural transition by humidity control | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Taniguchi, H, Matsumoto, S, Kawamura, T, Kumasaka, T, Kataoka, T. | Deposit date: | 2020-12-19 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein. Biochem.Biophys.Res.Commun., 565, 2021
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7RPZ
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![BU of 7rpz by Molmil](/molmil-images/mine/7rpz) | KRAS G12D in complex with MRTX-1133 | 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, Isoform 2B of GTPase KRas, ... | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | Deposit date: | 2021-08-05 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7R0N
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![BU of 7r0n by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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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