PDB: 1374 件ウェブページステータス検索Chemie searchBIRD

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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
6USZ	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 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 (2.03 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
6UT0	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Vigers, G.P, Smith, D.J. 登録日 2019-10-29 公開日 2020-04-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.94 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
6UZK	Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi6 分子名称: 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... 著者 Gingras, A.R. 登録日 2019-11-15 公開日 2020-11-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.924 Å) 主引用文献 Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells. Faseb Bioadv, 3, 2021
6V5L	The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 分子名称: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. 登録日 2019-12-04 公開日 2019-12-18 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate Chemical Biology & Drug Design, 94, 2019
6V65	Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex 分子名称: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ... 著者 Yan, W, Simanshu, D.K. 登録日 2019-12-04 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.763 Å) 主引用文献 Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR. Cell Rep, 32, 2020
6V6F	Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex 分子名称: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ... 著者 Yan, W, Simanshu, D.K. 登録日 2019-12-05 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.542 Å) 主引用文献 Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR. Cell Rep, 32, 2020
6V6M	Crystal structure of an inactive state of GMPPNP-bound RhoA 分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-05 公開日 2020-12-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V6U	Crystal structure of RhoA-GDP with novel Switch I conformation 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-06 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V6V	Crystal structure of oncogenic RhoA mutant G14V complexed with GDP 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2019-12-06 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V94	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9F	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.849 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9J	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9L	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.698 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9M	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.648 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9N	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.648 Å) 主引用文献 Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020
6V9O	Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods 分子名称: 3-(phenylsulfonyl)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods To Be Published
6VC8	Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion 分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. 登録日 2019-12-20 公開日 2021-02-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
6VJJ	Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Tran, T.H, Dharmaiah, S, Simanshu, D.K. 登録日 2020-01-16 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
6W4E	NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ... 著者 Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. 登録日 2020-03-10 公開日 2020-04-15 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement. Angew.Chem.Int.Ed.Engl., 59, 2020
6W4F	NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... 著者 Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. 登録日 2020-03-10 公開日 2020-04-29 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement. Angew.Chem.Int.Ed.Engl., 59, 2020
6WCW	Structure of human Rubicon RH domain in complex with GTP-bound Rab7 分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ... 著者 Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H. 登録日 2020-03-31 公開日 2020-07-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex. Proc.Natl.Acad.Sci.USA, 117, 2020
6WGH	Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region 分子名称: CITRATE ANION, GLYCEROL, GTPase NRas, ... 著者 Dharmaiah, S, Simanshu, D.K. 登録日 2020-04-05 公開日 2020-05-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
6WGN	Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2 分子名称: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ... 著者 Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H. 登録日 2020-04-06 公開日 2020-10-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf. Acs Cent.Sci., 6, 2020
6WHE	Structure of phosphomimetic Rab8a GTPase (T72E) in the GTP-bound state 分子名称: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Waschbusch, D, Khan, A.R. 登録日 2020-04-08 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Dual arginine recognition of LRRK2 phosphorylated Rab GTPases. Biophys.J., 120, 2021

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