PDB: 1342 resultsInfo pagesStatus searchChemie searchBIRD

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6USZ	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Vigers, G.P, Smith, D.J. Deposit date: 2019-10-28 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.03 Å) Cite: 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 Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Vigers, G.P, Smith, D.J. Deposit date: 2019-10-29 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.94 Å) Cite: 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 Descriptor: 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... Authors: Gingras, A.R. Deposit date: 2019-11-15 Release date: 2020-11-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.924 Å) Cite: 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 Descriptor: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. Deposit date: 2019-12-04 Release date: 2019-12-18 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: 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 Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ... Authors: Yan, W, Simanshu, D.K. Deposit date: 2019-12-04 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.763 Å) Cite: 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 Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ... Authors: Yan, W, Simanshu, D.K. Deposit date: 2019-12-05 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.542 Å) Cite: 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 Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Lin, Y, Zheng, Y. Deposit date: 2019-12-05 Release date: 2020-12-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V6U	Crystal structure of RhoA-GDP with novel Switch I conformation Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Lin, Y, Zheng, Y. Deposit date: 2019-12-06 Release date: 2020-12-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Structure of an inactive conformation of GTP-bound RhoA GTPase. Structure, 29, 2021
6V6V	Crystal structure of oncogenic RhoA mutant G14V complexed with GDP Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Lin, Y, Zheng, Y. Deposit date: 2019-12-06 Release date: 2020-12-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 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 Descriptor: 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 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 Descriptor: 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.849 Å) Cite: 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 Descriptor: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.76 Å) Cite: 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 Descriptor: 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.698 Å) Cite: 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 Descriptor: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.648 Å) Cite: 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 Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.648 Å) Cite: 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 Descriptor: 3-(phenylsulfonyl)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-12-13 Release date: 2020-12-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.799 Å) Cite: 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 Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Authors: Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. Deposit date: 2019-12-20 Release date: 2021-02-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 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 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Tran, T.H, Dharmaiah, S, Simanshu, D.K. Deposit date: 2020-01-16 Release date: 2020-11-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 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 Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ... Authors: Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. Deposit date: 2020-03-10 Release date: 2020-04-15 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: 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 Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... Authors: Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. Deposit date: 2020-03-10 Release date: 2020-04-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: 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 Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ... Authors: Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H. Deposit date: 2020-03-31 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.8 Å) Cite: 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 Descriptor: CITRATE ANION, GLYCEROL, GTPase NRas, ... Authors: Dharmaiah, S, Simanshu, D.K. Deposit date: 2020-04-05 Release date: 2020-05-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.65 Å) Cite: 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 Descriptor: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ... Authors: Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H. Deposit date: 2020-04-06 Release date: 2020-10-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.601 Å) Cite: 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 Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Waschbusch, D, Khan, A.R. Deposit date: 2020-04-08 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Dual arginine recognition of LRRK2 phosphorylated Rab GTPases. Biophys.J., 120, 2021
6WS2	Crystal structure of KRAS-K104Q mutant, GDP-bound Descriptor: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Tran, T.H, Simanshu, D.K. Deposit date: 2020-04-30 Release date: 2021-11-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Allosteric regulation of switch-II domain controls KRAS oncogenicity. Cancer Res., 2023

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