PDB: 1345 resultsInfo pagesStatus searchChemie searchBIRD

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8TBK	Tricomplex of RMC-7977, KRAS G12C, and CypA Descriptor: (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, ... Authors: Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. Deposit date: 2023-06-28 Release date: 2024-02-07 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
8BEA	Crystal structure of SOS1-HRas-peptidomimetic10 Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic10, Son of sevenless homolog 1 Authors: Fischer, B, Wohlkonig, A, Steyaert, J. Deposit date: 2022-10-21 Release date: 2023-04-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
8BOS	Transition state analogue complex of small G protein and its GAP effector Descriptor: GTPase HRas, GUANIDINE, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Baumann, P, Jin, Y. Deposit date: 2022-11-15 Release date: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A small G protein with MgF3 TSA complex To Be Published
9BG1	Tri-complex of Compound-3, KRAS G12V, and CypA Descriptor: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-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-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... Authors: Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2024-06-12 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Tri-complex of Compound-3, KRAS G12V, and CypA To be published
8ZQ3	Structure of ORP1L-RAB7A in the presence of GDP Descriptor: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a Authors: Lu, Q, Zhang, J, Xu, C. Deposit date: 2024-05-31 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Structure of GDP-bound Rab7 Q67L in complex with ORP1L. Biochem.Biophys.Res.Commun., 725, 2024
9BFY	Tri-complex of Compound-12, KRAS G12C, and CypA Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... Authors: Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2024-06-12 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Tri-complex of Compound-12, KRAS G12C, and CypA To be published
6TM1	Crystal structure of the DHR2 domain of DOCK10 in complex with RAC3 Descriptor: Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 3 Authors: Barford, D, Fan, D, Cronin, N, Yang, J. Deposit date: 2019-12-03 Release date: 2020-01-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.71 Å) Cite: Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10 Biorxiv, 2022
3QBV	Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin Descriptor: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1 Authors: Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T. Deposit date: 2011-01-14 Release date: 2012-02-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair. Proc.Natl.Acad.Sci.USA, 109, 2012
6TKZ	Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42 Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ... Authors: Barford, D. Deposit date: 2019-11-29 Release date: 2020-01-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10 Biorxiv, 2022
6TGC	CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex. Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 Authors: Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. Deposit date: 2019-11-15 Release date: 2020-07-29 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
6TVO	Human CRM1-RanGTP in complex with Leptomycin B Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Shaikhqasem, A, Ficner, R. Deposit date: 2020-01-10 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.201 Å) Cite: Characterization of Inhibition Reveals Distinctive Properties for Human andSaccharomyces cerevisiaeCRM1. J.Med.Chem., 63, 2020
3Q3J	Crystal structure of plexin A2 RBD in complex with Rnd1 Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A2, ... Authors: Wang, H, Tempel, W, Tong, Y, Guan, X, Shen, L, Buren, L, Zhang, N, Wernimont, A.K, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2010-12-21 Release date: 2011-01-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.971 Å) Cite: Crystal structure of plexin A2 RBD in complex with Rnd1 to be published
6SGE	Crystal structure of Human RHOB-GTP in complex with nanobody B6 Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nanobody B6, ... Authors: Soulie, S, Gence, R, Cabantous, S, Lajoie-Mazenc, I, Favre, G, Pedelacq, J.D. Deposit date: 2019-08-04 Release date: 2019-09-25 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation. Cell Chem Biol, 26, 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
6TKY	Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42 Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL Authors: Barford, D, Fan, D, Cronin, N, Yang, J. Deposit date: 2019-11-29 Release date: 2020-01-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10 Biorxiv, 2022
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
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
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
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
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
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
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
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
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
3QBT	Crystal structure of OCRL1 540-678 in complex with Rab8a:GppNHp Descriptor: Inositol polyphosphate 5-phosphatase OCRL-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Hou, X, Hagemann, N, Schoebel, S, Blankenfeldt, W, Goody, R.S, Erdmann, K.S, Itzen, A. Deposit date: 2011-01-14 Release date: 2011-03-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: A structural basis for Lowe syndrome caused by mutations in the Rab-binding domain of OCRL1. Embo J., 30, 2011

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