PDB: 386 resultsInfo pagesStatus searchChemie searchBIRD

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7T3H	MicroED structure of Dynobactin Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE Authors: Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. Deposit date: 2021-12-07 Release date: 2022-10-19 Method: ELECTRON CRYSTALLOGRAPHY (1.05 Å) Cite: Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
7R1V	Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA Authors: Jakob, R.P, Hiller, S, Maier, T. Deposit date: 2022-02-03 Release date: 2022-09-28 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
7R1W	E. coli BAM complex (BamABCDE) bound to dynobactin A Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... Authors: Jakob, R.P, Hiller, S, Maier, T. Deposit date: 2022-02-03 Release date: 2022-09-28 Last modified: 2024-04-03 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
5JXD	Crystal structure of murine Tnfaip8 C165S mutant Descriptor: Tumor necrosis factor alpha-induced protein 8, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate Authors: Park, J, Kim, M.S, Lee, D, Shin, D.H. Deposit date: 2016-05-13 Release date: 2017-06-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.029 Å) Cite: The Tnfaip8-PE complex is a novel upstream effector in the anti-autophagic action of insulin Sci Rep, 7, 2017
7MSO	Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor Descriptor: Cyclic Peptide Inhibitor ZO1-GLN-SER-TPO-45W-MLL, Serine/threonine-protein kinase PLK1 Authors: Lim, D.C, Yaffe, M.B. Deposit date: 2021-05-11 Release date: 2022-03-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Novel Macrocyclic Peptidomimetics Targeting the Polo-Box Domain of Polo-Like Kinase 1. J.Med.Chem., 65, 2022
5WUX	TNFalpha-certolizumab Fab Descriptor: Tumor necrosis factor alpha, heavy, light Authors: Heo, Y.S, Lee, J.U. Deposit date: 2016-12-21 Release date: 2017-06-07 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Molecular Basis for the Neutralization of Tumor Necrosis Factor alpha by Certolizumab Pegol in the Treatment of Inflammatory Autoimmune Diseases Int J Mol Sci, 18, 2017
5WFO	Ligand-bound Ras:SOS:Ras complex Descriptor: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... Authors: Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. Deposit date: 2017-07-12 Release date: 2018-05-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.99 Å) Cite: High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
5WFP	Ligand-bound Ras:SOS:Ras complex Descriptor: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... Authors: Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. Deposit date: 2017-07-12 Release date: 2018-05-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.08 Å) Cite: High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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
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
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
1Z8M	Solution structure of the conserved hypothtical protein HP0894 from Helicobacter pylori Descriptor: conserved hypothetical protein HP0894 Authors: Han, K.D, Park, S.J, Jang, S.B, Lee, B.J. Deposit date: 2005-03-30 Release date: 2005-11-01 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Solution structure of conserved hypothetical protein HP0894 from Helicobacter pylori Proteins, 61, 2005
2BD0	Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin Descriptor: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, sepiapterin reductase Authors: Supangat, S, Seo, K.H, Choi, Y.K, Park, Y.S, Lee, K.H. Deposit date: 2005-10-19 Release date: 2005-11-29 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure of Chlorobium tepidum sepiapterin reductase complex reveals the novel substrate binding mode for stereospecific production of L-threo-tetrahydrobiopterin J.Biol.Chem., 281, 2006
6RBC	X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 Descriptor: (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Barinka, C, Kutil, Z. Deposit date: 2019-04-10 Release date: 2020-05-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
6S1X	X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160 Descriptor: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Barinka, C, Kutil, Z. Deposit date: 2019-06-19 Release date: 2020-05-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
2ESB	Crystal structure of human DUSP18 Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Dual specificity protein phosphatase 18 Authors: Kim, S.J, Ryu, S.E, Jeong, D.G, Cho, Y.H, Yoon, T.S, Kim, J.H. Deposit date: 2005-10-25 Release date: 2006-06-06 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of human DSP18, a member of the dual-specificity protein tyrosine phosphatase family. Acta Crystallogr.,Sect.D, 62, 2006
2GWO	crystal structure of TMDP Descriptor: Dual specificity protein phosphatase 13 Authors: Kim, S.J, Ryu, S.E, Kim, J.H. Deposit date: 2006-05-05 Release date: 2007-03-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of human TMDP, a testis-specific dual specificity protein phosphatase: implications for substrate specificity Proteins, 66, 2007
1NVV	Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Descriptor: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. Deposit date: 2003-02-04 Release date: 2003-04-01 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
1NVW	Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Descriptor: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... Authors: Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. Deposit date: 2003-02-04 Release date: 2003-04-01 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
1NVX	Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. Deposit date: 2003-02-04 Release date: 2003-04-01 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
1NVU	Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. Deposit date: 2003-02-04 Release date: 2003-04-01 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
3IIY	Crystal structure of Eed in complex with a trimethylated histone H1K26 peptide Descriptor: Histone H1K26 peptide, Polycomb protein EED Authors: Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J. Deposit date: 2009-08-03 Release date: 2009-09-15 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Role of the polycomb protein EED in the propagation of repressive histone marks. Nature, 461, 2009

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