5WLB
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![BU of 5wlb by Molmil](/molmil-images/mine/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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8CX5
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![BU of 8cx5 by Molmil](/molmil-images/mine/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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6ZLI
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![BU of 6zli by Molmil](/molmil-images/mine/6zli) | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6PQ3
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![BU of 6pq3 by Molmil](/molmil-images/mine/6pq3) | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | Deposit date: | 2019-07-08 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
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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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4EPX
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![BU of 4epx by Molmil](/molmil-images/mine/4epx) | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 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 (1.76 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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7A1W
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![BU of 7a1w by Molmil](/molmil-images/mine/7a1w) | KRASG12C GDP form in complex with Cpd3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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6GJ6
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![BU of 6gj6 by Molmil](/molmil-images/mine/6gj6) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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5W22
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![BU of 5w22 by Molmil](/molmil-images/mine/5w22) | Crystal structure of human WT-KRAS in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-06-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ1
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![BU of 5vq1 by Molmil](/molmil-images/mine/5vq1) | Crystal structure of human KRAS Q61A mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-07 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/7ycc) | KRas G12C in complex with Compound 5c | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]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. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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8T71
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![BU of 8t71 by Molmil](/molmil-images/mine/8t71) | Crystal Structure of WT KRAS4a with bound GDP and Mg ion | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2023-06-19 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties. Sci Adv, 10, 2024
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6N2J
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![BU of 6n2j by Molmil](/molmil-images/mine/6n2j) | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | Descriptor: | 1-{4-[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. | Deposit date: | 2018-11-13 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 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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7NY8
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![BU of 7ny8 by Molmil](/molmil-images/mine/7ny8) | Affimer K69 - KRAS protein complex | Descriptor: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | Deposit date: | 2021-03-21 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site. Nat Commun, 12, 2021
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)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. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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7TLG
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![BU of 7tlg by Molmil](/molmil-images/mine/7tlg) | Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 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 (1.80000722 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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4EPY
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![BU of 4epy by Molmil](/molmil-images/mine/4epy) | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 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 (1.801 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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8DNJ
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![BU of 8dnj by Molmil](/molmil-images/mine/8dnj) | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | Descriptor: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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6FA3
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![BU of 6fa3 by Molmil](/molmil-images/mine/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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7EYX
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![BU of 7eyx by Molmil](/molmil-images/mine/7eyx) | Crystal structure of Mg-free KRAS-G12D bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas | Authors: | Fei, Z. | Deposit date: | 2021-06-01 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of Mg-free KRAS-G12D bound to GDP To Be Published
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5US4
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![BU of 5us4 by Molmil](/molmil-images/mine/5us4) | Crystal structure of human KRAS G12D mutant in complex with GDP | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-13 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
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6WS4
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![BU of 6ws4 by Molmil](/molmil-images/mine/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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5VPZ
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![BU of 5vpz by Molmil](/molmil-images/mine/5vpz) | Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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8BE3
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![BU of 8be3 by Molmil](/molmil-images/mine/8be3) | Crystal structure of KRasG12V-Nanobody84 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | ChILL & DisCO to discover Nanobodies that modulate protein-protein interactions and tune the SOS-Ras nucleotide exchange rate To Be Published
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