6BOF
 
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4PZZ
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | 分子名称: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | | 著者 | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | 登録日 | 2014-03-31 | | 公開日 | 2014-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.403 Å) | | 主引用文献 | 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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8EIE
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8ECR
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6B0Y
 | | Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | | 分子名称: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | 著者 | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | | 登録日 | 2017-09-15 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018
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6MBT
 | | Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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6MBU
 | | Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) | | 分子名称: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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8TBJ
 | | Tricomplex of RMC-7977, KRAS G12A, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | 著者 | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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8TBN
 | | Tricomplex of RMC-7977, KRAS G12S, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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8T4V
 | | Crystal structure of compound 1 bound to K-Ras(G12D) | | 分子名称: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2023-06-10 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 2024
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6QUV
 | | Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R | | 分子名称: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.475 Å) | | 主引用文献 | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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6QUU
 | | Crystal Structure of KRAS-G12D in complex with GMP-PCP | | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | 著者 | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | 登録日 | 2019-02-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.477 Å) | | 主引用文献 | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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7OO7
 | | KRasG12C ligand complex | | 分子名称: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | | 著者 | Phillips, C. | | 登録日 | 2021-05-26 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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8FMK
 | | Crystal structure of human KRAS with extended switch I loop | | 分子名称: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | | 登録日 | 2022-12-23 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
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5OCG
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ... | | 著者 | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | 登録日 | 2017-06-30 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 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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5VBM
 | | Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP | | 分子名称: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | | 登録日 | 2017-03-29 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States.
Cell Chem Biol, 24, 2017
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6MS9
 | | GDP-bound KRAS P34R mutant | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Bera, A.K, Westover, K.D. | | 登録日 | 2018-10-16 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
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4TQ9
 | | Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | 登録日 | 2014-06-10 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | | 主引用文献 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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4M1Y
 | | Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide | | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | 登録日 | 2013-08-04 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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6GJ5
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | | 分子名称: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | 登録日 | 2018-05-16 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | | 主引用文献 | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6CU6
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6MQG
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6PGP
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7LZ5
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