6GQX
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![BU of 6gqx by Molmil](/molmil-images/mine/6gqx) | KRAS-169 Q61H GPPNHP + CH-2 | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | 登録日 | 2018-06-08 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8QW6
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![BU of 8qw6 by Molmil](/molmil-images/mine/8qw6) | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | 分子名称: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Zollman, D, Farnaby, W, Ciulli, A. | 登録日 | 2023-10-18 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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7RP2
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![BU of 7rp2 by Molmil](/molmil-images/mine/7rp2) | Crystal structure of Kas G12C in complex with 2H11 CLAMP | 分子名称: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2021-08-03 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
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6F76
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![BU of 6f76 by Molmil](/molmil-images/mine/6f76) | Antibody derived (Abd-8) small molecule binding to KRAS. | 分子名称: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | 著者 | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions. Elife, 7, 2018
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8I5E
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![BU of 8i5e by Molmil](/molmil-images/mine/8i5e) | Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) | 分子名称: | Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment) | 著者 | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | 登録日 | 2023-01-25 | 公開日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
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6MNX
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6H46
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![BU of 6h46 by Molmil](/molmil-images/mine/6h46) | Human KRAS in complex with darpin K13 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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5V71
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![BU of 5v71 by Molmil](/molmil-images/mine/5v71) | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | 分子名称: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Westover, K, Lu, J. | 登録日 | 2017-03-17 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | 主引用文献 | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry. Structure, 25, 2017
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8DNK
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7Q9U
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8QVU
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![BU of 8qvu by Molmil](/molmil-images/mine/8qvu) | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | 分子名称: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | 登録日 | 2023-10-18 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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7EWA
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![BU of 7ewa by Molmil](/molmil-images/mine/7ewa) | GDP-bound KRAS G12D in complex with TH-Z827 | 分子名称: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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3GFT
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![BU of 3gft by Molmil](/molmil-images/mine/3gft) | Human K-Ras (Q61H) in complex with a GTP analogue | 分子名称: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | 著者 | Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-02-27 | 公開日 | 2009-03-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Human K-Ras in complex with a GTP analogue To be Published
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6USX
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![BU of 6usx by Molmil](/molmil-images/mine/6usx) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | 分子名称: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-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, Smith, D.J. | 登録日 | 2019-10-28 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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7C41
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![BU of 7c41 by Molmil](/molmil-images/mine/7c41) | KRAS G12V and H-REV107 peptide complex | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, HRAS-like suppressor 3, ... | 著者 | Han, C.W, Jeong, M.S, Jang, S.B. | 登録日 | 2020-05-14 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.276 Å) | 主引用文献 | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel), 12, 2020
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5VQ0
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![BU of 5vq0 by Molmil](/molmil-images/mine/5vq0) | Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) | 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 | 2017-05-06 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 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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4DST
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![BU of 4dst by Molmil](/molmil-images/mine/4dst) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | 分子名称: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | 登録日 | 2012-02-19 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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5VQ8
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![BU of 5vq8 by Molmil](/molmil-images/mine/5vq8) | Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked) | 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 | 2017-05-08 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 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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5UFE
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![BU of 5ufe by Molmil](/molmil-images/mine/5ufe) | |
6P8Y
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7LC1
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8QW7
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![BU of 8qw7 by Molmil](/molmil-images/mine/8qw7) | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Zollman, D, Farnaby, W, Ciulli, A. | 登録日 | 2023-10-18 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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6EPP
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![BU of 6epp by Molmil](/molmil-images/mine/6epp) | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 | 分子名称: | GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ... | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | 登録日 | 2017-10-12 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6EPO
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![BU of 6epo by Molmil](/molmil-images/mine/6epo) | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 | 分子名称: | 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ... | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | 登録日 | 2017-10-12 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1N4Q
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![BU of 1n4q by Molmil](/molmil-images/mine/1n4q) | Protein Geranylgeranyltransferase type-I Complexed with a GGPP Analog and a KKKSKTKCVIL Peptide | 分子名称: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, ... | 著者 | Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S. | 登録日 | 2002-11-01 | 公開日 | 2003-11-18 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of mammalian protein geranylgeranyltransferase type-I EMBO J., 22, 2003
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