5O2S
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![BU of 5o2s by Molmil](/molmil-images/mine/5o2s) | Human KRAS in complex with darpin K27 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2017-05-22 | 公開日 | 2017-07-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
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5OCG
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![BU of 5ocg by Molmil](/molmil-images/mine/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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5O2T
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![BU of 5o2t by Molmil](/molmil-images/mine/5o2t) | Human KRAS in complex with darpin K27 | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2017-05-22 | 公開日 | 2017-07-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
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7W5R
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![BU of 7w5r by Molmil](/molmil-images/mine/7w5r) | KRAS G12V and peptide complex | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, LEU-TYR-ASP-VAL-ALA, ... | 著者 | Kim, H.J, Han, C.W, Jang, S.B. | 登録日 | 2021-11-30 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.87 Å) | 主引用文献 | Structural basis of the oncogenic KRAS mutant and GJ101 complex. Biochem.Biophys.Res.Commun., 641, 2023
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7WZC
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![BU of 7wzc by Molmil](/molmil-images/mine/7wzc) | |
7WZA
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![BU of 7wza by Molmil](/molmil-images/mine/7wza) | An open conformation Form 1 of switch II for RhoA | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | 著者 | Jiang, H, Luo, C. | 登録日 | 2022-02-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.50028777 Å) | 主引用文献 | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region. J.Struct.Biol., 215, 2023
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7XKJ
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![BU of 7xkj by Molmil](/molmil-images/mine/7xkj) | Kras-G12D-GDP-MRTX1133 by FIB-MicroED | 分子名称: | 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, KRAS proto-oncogene, ... | 著者 | Li, X.M. | 登録日 | 2022-04-19 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3 Å) | 主引用文献 | Kras-G12D-GDP-MRTX1133 by FIB-MicroED To Be Published
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7XQV
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![BU of 7xqv by Molmil](/molmil-images/mine/7xqv) | The complex of nanobody Rh57 binding to GTP-bound RhoA active form | 分子名称: | ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Zhang, Y.R, Liu, R, Ding, Y. | 登録日 | 2022-05-09 | 公開日 | 2022-07-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structural insights into the binding of nanobody Rh57 to active RhoA-GTP. Biochem.Biophys.Res.Commun., 616, 2022
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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 | 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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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/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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7Y4A
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![BU of 7y4a by Molmil](/molmil-images/mine/7y4a) | Crystal structure of human ELMO1 RBD-RhoG complex | 分子名称: | Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tsuda, K, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2022-06-14 | 公開日 | 2023-03-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Targeting Ras-binding domain of ELMO1 by computational nanobody design. Commun Biol, 6, 2023
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7YV1
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![BU of 7yv1 by Molmil](/molmil-images/mine/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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7YUZ
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![BU of 7yuz by Molmil](/molmil-images/mine/7yuz) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | 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 (1.878 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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8PIY
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![BU of 8piy by Molmil](/molmil-images/mine/8piy) | |
8QUG
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![BU of 8qug by Molmil](/molmil-images/mine/8qug) | KRAS-G12C in Complex with Compound 1 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Fischer, G, Kratochvil, B. | 登録日 | 2023-10-16 | 公開日 | 2023-12-06 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
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4XVQ
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![BU of 4xvq by Molmil](/molmil-images/mine/4xvq) | H-Ras Y137E | 分子名称: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | 著者 | Johnson, C.W, Mattos, C. | 登録日 | 2015-01-27 | 公開日 | 2015-06-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.887 Å) | 主引用文献 | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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4XVR
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![BU of 4xvr by Molmil](/molmil-images/mine/4xvr) | H-Ras Y137F | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Johnson, C.W, Mattos, C. | 登録日 | 2015-01-27 | 公開日 | 2015-06-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | 主引用文献 | Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding. Faseb J., 29, 2015
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4Z8Y
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8S8C
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![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | 分子名称: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Day, P.J, Cleasby, A. | 登録日 | 2024-03-06 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
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8STN
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![BU of 8stn by Molmil](/molmil-images/mine/8stn) | Crystal structure of KRAS-G12D/G75A mutant, GDP-bound | 分子名称: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | 登録日 | 2023-05-10 | 公開日 | 2023-08-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity. Cancer Res., 83, 2023
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8STM
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![BU of 8stm by Molmil](/molmil-images/mine/8stm) | Crystal structure of KRAS-G75A mutant, GDP-bound | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | 著者 | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | 登録日 | 2023-05-10 | 公開日 | 2023-08-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity. Cancer Res., 83, 2023
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5A0F
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![BU of 5a0f by Molmil](/molmil-images/mine/5a0f) | Crystal structure of Yersinia Afp18-modified RhoA | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | 著者 | Jank, T, Schimpl, M, van Aalten, D.M. | 登録日 | 2015-04-20 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos. Nat Commun, 6, 2015
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6D4G
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![BU of 6d4g by Molmil](/molmil-images/mine/6d4g) | N-GTPase domain of p190RhoGAP-A | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 35 | 著者 | Stiegler, A.L, Boggon, T.J. | 登録日 | 2018-04-18 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The N-Terminal GTPase Domain of p190RhoGAP Proteins Is a PseudoGTPase. Structure, 26, 2018
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6D71
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![BU of 6d71 by Molmil](/molmil-images/mine/6d71) | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | 著者 | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2018-04-23 | 公開日 | 2019-10-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7180779 Å) | 主引用文献 | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase. J.Struct.Biol., 212, 2020
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8JGD
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![BU of 8jgd by Molmil](/molmil-images/mine/8jgd) | GDP-bound KRAS G12C in complex with YK-8S | 分子名称: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Zhang, Z.M, Wang, R.L. | 登録日 | 2023-05-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.60037053 Å) | 主引用文献 | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
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