PDB: 82203 resultsInfo pagesStatus searchChemie searchBIRD

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6XTZ	Structure of Dally-like protein in complex with O-palmitoleoyl serine Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dally-like, ... Authors: Vecchia, L, Jones, E.Y. Deposit date: 2020-01-16 Release date: 2020-07-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Glypicans shield the Wnt lipid moiety to enable signalling at a distance. Nature, 585, 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
6UX6	Cruzain covalently bound by a vinylsulfone compound Descriptor: Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide Authors: Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. Deposit date: 2019-11-06 Release date: 2020-11-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Cruzain covalently bound by a vinylsulfone compound To Be Published
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
3OUG	Crystal structure of cleaved L-aspartate-alpha-decarboxylase from Francisella tularensis Descriptor: Aspartate 1-decarboxylase, CHLORIDE ION, GLYCEROL Authors: Nocek, B, Gu, M, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-09-14 Release date: 2010-10-20 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of cleaved L-aspartate-alpha-decarboxylase from Francisella tularensis To be Published
3MS3	Crystal structure of Thermolysin in complex with Aniline Descriptor: ANILINE, CALCIUM ION, DIMETHYL SULFOXIDE, ... Authors: Behnen, J, Heine, A, Klebe, G. Deposit date: 2010-04-29 Release date: 2011-05-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
3MSA	Crystal structure of Thermolysin in complex with 3-Bromophenol Descriptor: 3-bromophenol, CALCIUM ION, GLYCEROL, ... Authors: Behnen, J, Heine, A, Klebe, G. Deposit date: 2010-04-29 Release date: 2011-05-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
1O66	Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase Descriptor: 3-methyl-2-oxobutanoate hydroxymethyltransferase, GLYCEROL Authors: Structural GenomiX Deposit date: 2003-10-23 Release date: 2003-11-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
5W2O	Crystal structure of Mycobacterium tuberculosis KasA Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... Authors: Capodagli, G.C, Neiditch, M.B. Deposit date: 2017-06-06 Release date: 2018-12-05 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
1E7S	GDP 4-keto-6-deoxy-D-mannose epimerase reductase K140R Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ... Authors: Rosano, C, Zuccotti, S, Izzo, G, Bolognesi, M. Deposit date: 2000-09-07 Release date: 2000-10-18 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Probing the Catalytic Mechanism of Gdp-4-Keto-6-Deoxy-D-Mannose Epimerase/Reductase by Kinetic and Crystallographic Characterization of Site-Specific Mutants J.Mol.Biol., 303, 2000
7D6Q	Crystal structure of the Stx2a Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, rRNA N-glycosylase Authors: Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K. Deposit date: 2020-10-01 Release date: 2021-04-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin. Commun Biol, 4, 2021
7D6R	Crystal structure of the Stx2a complexed with MMA betaAla peptide Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, MMA betaAla peptide, Shiga toxin 2 B subunit, ... Authors: Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K. Deposit date: 2020-10-01 Release date: 2021-04-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin. Commun Biol, 4, 2021
5CAZ	Crystallographic structure of apo human rotavirus K8 VP8* Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ... Authors: Yu, X, Blanchard, H. Deposit date: 2015-06-30 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection. Chembiochem, 16, 2015
7ALO	Structure of B*27:09/photoRL9 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... Authors: Loll, B, Lan, H, Freund, C. Deposit date: 2020-10-07 Release date: 2021-06-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules. Nat Commun, 12, 2021
8I71	Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) Descriptor: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... Authors: Zhou, Z, Xu, Z.H. Deposit date: 2023-01-30 Release date: 2023-03-22 Last modified: 2023-04-05 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection. J.Med.Chem., 66, 2023
1EAW	Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex Descriptor: PANCREATIC TRYPSIN INHIBITOR, SUPPRESSOR OF TUMORIGENICITY 14 Authors: Friedrich, R, Bode, W. Deposit date: 2001-07-17 Release date: 2002-01-28 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.93 Å) Cite: Catalytic Domain Structures of Mt-Sp1/Matriptase, a Matrix-Degrading Transmembrane Serine Proteinase. J.Biol.Chem., 277, 2002
8CP2	Structure of Aspartate-N-hydroxylase (FzmM)from Streptomyces sp. V2: complex with NADPH and L-aspartate Descriptor: 3-NITROPROPANOIC ACID, ASPARTIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Rotilio, L, Mattevi, A. Deposit date: 2023-03-01 Release date: 2023-07-12 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A biosynthetic aspartate N-hydroxylase performs successive oxidations by holding intermediates at a site away from the catalytic center. J.Biol.Chem., 299, 2023
5LU1	Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide Descriptor: 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6 Authors: Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. Deposit date: 2016-09-07 Release date: 2017-02-01 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure, 25, 2017
7ZXU	SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-27 heavy chain, Beta-27 light chain, ... Authors: Huo, J, Zhou, D, Ren, J, Stuart, D.I. Deposit date: 2022-05-23 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Antibody escape of SARS-CoV-2 Omicron BA.4 and BA.5 from vaccine and BA.1 serum. Cell, 185, 2022
3H8R	Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked host-guest system Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*TP*GP*TP*AP*TP*(2YR)P*AP*TP*(6MA)P*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*TP*AP*TP*AP*AP*TP*AP*CP*A)-3', ... Authors: Lu, L, Yi, C, Jian, X, Zheng, G, He, C. Deposit date: 2009-04-29 Release date: 2010-03-31 Last modified: 2021-10-13 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked protein-DNA system. Nucleic Acids Res., 38, 2010
2RA6	Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 4.6 with Bound 4-ethylphenol Descriptor: 4-ethylphenol, CHLORIDE ION, ISOPROPYL ALCOHOL, ... Authors: Watson, R.P. Deposit date: 2007-09-14 Release date: 2007-11-20 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Three-dimensional structure and ligand binding properties of trichosurin, a metatherian lipocalin from the milk whey of the common brushtail possum Trichosurus vulpecula Biochem.J., 408, 2007

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