8UN5
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![BU of 8un5 by Molmil](/molmil-images/mine/8un5) | KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) | Descriptor: | (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ... | Authors: | Ultsch, M.H. | Deposit date: | 2023-10-18 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8UN3
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![BU of 8un3 by Molmil](/molmil-images/mine/8un3) | KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) | Descriptor: | 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ... | Authors: | Ultsch, M.H. | Deposit date: | 2023-10-18 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8TXJ
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8TXK
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8TY2
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![BU of 8ty2 by Molmil](/molmil-images/mine/8ty2) | |
8TY8
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![BU of 8ty8 by Molmil](/molmil-images/mine/8ty8) | |
8TVK
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8TY9
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8VM2
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![BU of 8vm2 by Molmil](/molmil-images/mine/8vm2) | Crystal Structure of NRAS Q61K bound to GTP | Descriptor: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M. | Deposit date: | 2024-01-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II. Eur J Cell Biol, 103, 2024
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-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, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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8UN4
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5ZC6
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![BU of 5zc6 by Molmil](/molmil-images/mine/5zc6) | Solution structure of H-RasT35S mutant protein in complex with KBFM123 | Descriptor: | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide, GTPase HRas, MAGNESIUM ION, ... | Authors: | Matsumoto, S, Hayashi, Y, Hiraga, T, Matsuo, K, Kataoka, T. | Deposit date: | 2018-02-15 | Release date: | 2018-09-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular Basis for Allosteric Inhibition of GTP-Bound H-Ras Protein by a Small-Molecule Compound Carrying a Naphthalene Ring Biochemistry, 57, 2018
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5ZVP
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![BU of 5zvp by Molmil](/molmil-images/mine/5zvp) | Aspergillus fumigatus Rho1 F25N | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | Authors: | Wei, W.F, Van Aalten, D.M.F. | Deposit date: | 2018-05-12 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Aspergillus fumigateurs Rho1 F25N To Be Published
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621P
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![BU of 621p by Molmil](/molmil-images/mine/621p) | 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, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | Deposit date: | 1991-06-06 | Release date: | 1994-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 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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6AGP
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![BU of 6agp by Molmil](/molmil-images/mine/6agp) | Structure of Rac1 in the low-affinity state for Mg2+ | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1 | Authors: | Toyama, Y, Kontani, K, Katada, T, Shimada, I. | Deposit date: | 2018-08-13 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Conformational landscape alternations promote oncogenic activities of Ras-related C3 botulinum toxin substrate 1 as revealed by NMR. Sci Adv, 5, 2019
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6ARK
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![BU of 6ark by Molmil](/molmil-images/mine/6ark) | Crystal Structure of compound 10 covalently bound to K-Ras G12C | Descriptor: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ... | Authors: | Nnadi, C.I, Jenkins, M.L, Gentile, D.R, Bateman, L.A, Zaidman, D, Balius, T.E, Nomura, D.K, Burke, J.E, Shokat, K.M, London, N. | Deposit date: | 2017-08-22 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange. J Chem Inf Model, 58, 2018
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6B0V
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![BU of 6b0v by Molmil](/molmil-images/mine/6b0v) | Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | Descriptor: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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6B0Y
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![BU of 6b0y by Molmil](/molmil-images/mine/6b0y) | Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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6ASA
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![BU of 6asa by Molmil](/molmil-images/mine/6asa) | KRAS mutant-D33E in GDP-bound | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Lu, J, Westover, K. | Deposit date: | 2017-08-24 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation. Biochemistry, 57, 2018
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6ASE
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![BU of 6ase by Molmil](/molmil-images/mine/6ase) | KRAS mutant-A59G in GDP-bound | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-08-24 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation. Biochemistry, 57, 2018
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6BSX
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6BOF
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6BP1
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6BT0
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![BU of 6bt0 by Molmil](/molmil-images/mine/6bt0) | CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1 | Descriptor: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mahoney, S.J. | Deposit date: | 2017-12-04 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nat Commun, 9, 2018
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6CU6
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