PDB: 1328 resultsInfo pagesStatus searchChemie searchBIRD

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6KX3	Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate Authors: Zhang, H, Luo, C. Deposit date: 2019-09-09 Release date: 2020-08-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.981 Å) Cite: Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
6ZL5	CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Kessler, D, Fischer, G, Boettcher, J. Deposit date: 2020-06-30 Release date: 2020-08-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.645 Å) Cite: Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
6ZLI	CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP Descriptor: 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... Authors: Kessler, D, Fischer, G, Boettcher, J. Deposit date: 2020-06-30 Release date: 2020-08-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 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
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
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
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
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
6JIK	Aspergillus fumigatus Rho1 GsGTP Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1 Authors: Bartual, S.G, Van Aalten, D.M.F. Deposit date: 2019-02-22 Release date: 2020-09-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Aspergillus fumigatus Rho1 gSGTP complex To Be Published
6ZSI	The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Descriptor: DI(HYDROXYETHYL)ETHER, EH domain-binding protein 1, MAGNESIUM ION, ... Authors: Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S. Deposit date: 2020-07-15 Release date: 2020-09-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.914 Å) Cite: The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Nat Commun, 11, 2020
6ZSJ	The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Descriptor: EH domain-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Rai, A, Bleimling, N, Vetter, I.R, Goody, R.S. Deposit date: 2020-07-15 Release date: 2020-09-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: The mechanism of activation of the actin binding protein EHBP1 by Rab8 family members. Nat Commun, 11, 2020
6ZAY	Crystal structure of Atg16L in complex with GDP-bound Rab33B Descriptor: 1,2-ETHANEDIOL, Autophagy-related protein 16-1, DI(HYDROXYETHYL)ETHER, ... Authors: Pantoom, S, Wu, Y.W. Deposit date: 2020-06-06 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein. Autophagy, 17, 2021
6Y09	Crystal structure of Atg16L in complex with GTP-bound Rab33B (Q92L) Descriptor: 1,2-ETHANEDIOL, Autophagy-related protein 16-1, DI(HYDROXYETHYL)ETHER, ... Authors: Pantoom, S, Wu, Y.W. Deposit date: 2020-02-07 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein. Autophagy, 17, 2021
6SQ2	Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2 Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RILP-like protein 2, ... Authors: Khan, A.R, Waschbusch, D. Deposit date: 2019-09-03 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.684 Å) Cite: Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2 To Be Published
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
6L6O	Crystal structure of stabilized Rab5a GTPase domain from Leishmania donovani Descriptor: ACETATE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Arora, A, Zohib, M, Biswal, B.K, Maheshwari, D, Pal, R.K. Deposit date: 2019-10-29 Release date: 2020-11-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani. Acta Crystallogr.,Sect.F, 76, 2020
7ACH	CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... Authors: Kessler, D. Deposit date: 2020-09-10 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 To Be Published
7AJK	Crystal structure of CRYI-B Rac1 complex Descriptor: CYFIP-related Rac1 interactor B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Yelland, T, Anh, L, Insall, R, Machesky, L, Ismail, S. Deposit date: 2020-09-29 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac1. Structure, 29, 2021
7ACF	CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... Authors: Kessler, D. Deposit date: 2020-09-10 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers. Proc. Natl. Acad. Sci. U.S.A., 117, 2020
7ACA	CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... Authors: Kessler, D. Deposit date: 2020-09-10 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.57 Å) Cite: CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 To Be Published
7ACQ	CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Kessler, D. Deposit date: 2020-09-11 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.86 Å) Cite: CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747 To Be Published
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
6X1G	Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1 Descriptor: MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1, ULP_PROTEASE domain-containing protein Authors: Lim, C.S, Xiong, Y. Deposit date: 2020-05-18 Release date: 2020-11-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi . Proc.Natl.Acad.Sci.USA, 117, 2020
6ZQT	Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. Deposit date: 2020-07-10 Release date: 2020-11-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases. J.Biol.Chem., 296, 2020

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