5WLB
 
 | | KRas G12V, bound to GppNHp and miniprotein 225-15a/b | | 分子名称: | 225-15 a, 225-15 b, GTPase KRas, ... | | 著者 | Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. | | 登録日 | 2017-07-26 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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8CX5
 | | Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | 著者 | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2022-05-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
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6ZLI
 | | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | | 分子名称: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Fischer, G, Boettcher, J. | | 登録日 | 2020-06-30 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6PQ3
 | | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | | 登録日 | 2019-07-08 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
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6ARK
 | | Crystal Structure of compound 10 covalently bound to K-Ras G12C | | 分子名称: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ... | | 著者 | 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. | | 登録日 | 2017-08-22 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | 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
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | 登録日 | 2012-04-17 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | 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
 | | KRASG12C GDP form in complex with Cpd3 | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | 著者 | Mathieu, M, Steier, V. | | 登録日 | 2020-08-14 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
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6GJ6
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | | 登録日 | 2018-05-16 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.761 Å) | | 主引用文献 | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5W22
 | | Crystal structure of human WT-KRAS in complex with GDP | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | 登録日 | 2017-06-05 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | 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
 | | Crystal structure of human KRAS Q61A mutant in complex with GDP | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | 登録日 | 2017-05-07 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | 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
 | | KRas G12C in complex with Compound 5c | | 分子名称: | 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, ... | | 著者 | Amano, Y. | | 登録日 | 2022-07-01 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | 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
 | | Crystal Structure of WT KRAS4a with bound GDP and Mg ion | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K. | | 登録日 | 2023-06-19 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
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6N2J
 | | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | | 分子名称: | 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, ... | | 著者 | Vigers, G.P. | | 登録日 | 2018-11-13 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Affimer K69 - KRAS protein complex | | 分子名称: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | 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. | | 登録日 | 2021-03-21 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
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7YCE
 | | KRas G12C in complex with Compound 7b | | 分子名称: | 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, ... | | 著者 | Amano, Y. | | 登録日 | 2022-07-01 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | | 分子名称: | 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, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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
 | | Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | | 分子名称: | (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, ... | | 著者 | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2022-01-18 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.80000722 Å) | | 主引用文献 | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
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4EPY
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | 登録日 | 2012-04-17 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | 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
 | | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | | 分子名称: | 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, ... | | 著者 | Mohr, C. | | 登録日 | 2022-07-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
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6FA3
 | | Antibody derived (Abd-6) small molecule binding to KRAS. | | 分子名称: | DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | 登録日 | 2017-12-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | 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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5US4
 | | Crystal structure of human KRAS G12D mutant in complex with GDP | | 分子名称: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | | 登録日 | 2017-02-13 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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6WS4
 | | Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Tran, T.H, Simanshu, D.K. | | 登録日 | 2020-04-30 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
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5VPZ
 | | Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | | 著者 | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | 登録日 | 2017-05-06 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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