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4IXX	Crystal structure of S213G variant DAH7PS without Tyr bound from Neisseria meningitidis Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, SULFATE ION Authors: Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. Deposit date: 2013-01-28 Release date: 2013-12-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine. Protein Sci., 22, 2013
4J9H	Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8 Descriptor: P7, SULFATE ION, Tyrosine-protein kinase ABL1 Authors: Camara-Artigas, A. Deposit date: 2013-02-16 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 To be Published
4J75	Crystal Structure of a parasite tRNA synthetase, product-bound Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase Authors: Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. Deposit date: 2013-02-12 Release date: 2013-05-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
4I6U	Crystal Structure of a Y37F mutant of the Restriction-Modification Controller Protein C.Esp1396I Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Martin, R.N.A, McGeehan, J.E, Kneale, G.G. Deposit date: 2012-11-30 Release date: 2013-11-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I. Plos One, 9, 2014
4I6T	Crystal Structure of a T36A mutant of the Restriction-Modification Controller Protein C.Esp1396I Descriptor: MALONATE ION, Regulatory protein Authors: Martin, R.N.A, McGeehan, J.E, Kneale, G.G. Deposit date: 2012-11-30 Release date: 2013-11-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I. Plos One, 9, 2014
4HVW	Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12 Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... Authors: Camara-Artigas, A. Deposit date: 2012-11-07 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (0.98 Å) Cite: Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II. Acta Crystallogr.,Sect.D, 69, 2013
4HVV	Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide APP12 Descriptor: Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, SYNTHETIC PEPTIDE Acetyl-APPLPPRNRP Authors: Camara-Artigas, A. Deposit date: 2012-11-07 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II. Acta Crystallogr.,Sect.D, 69, 2013
4J9G	Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7 Descriptor: GLYCEROL, P7, SULFATE ION, ... Authors: Camara-Artigas, A. Deposit date: 2013-02-16 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 To be Published
4IVZ	A Y37F mutant of C.Esp1396I bound to its highest affinity operator site OM Descriptor: DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), Regulatory protein Authors: Martin, R.N.A, McGeehan, J.E, Kneale, G.G. Deposit date: 2013-01-23 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I. Plos One, 9, 2014
8T9Z	Structural of M8C10 Fab in complex human metapneumovirus fusion protein Descriptor: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain Authors: Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C. Deposit date: 2023-06-26 Release date: 2023-11-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.995 Å) Cite: Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface. J.Virol., 97, 2023
2IX1	RNase II D209N mutant Descriptor: 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP *AP*AP*A)-3', EXORIBONUCLEASE 2, MAGNESIUM ION Authors: Frazao, C, McVey, C.E, Amblar, M, Barbas, A, Vonrhein, C, Arraiano, C.M, Carrondo, M.A. Deposit date: 2006-07-05 Release date: 2006-10-05 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.74 Å) Cite: Unravelling the Dynamics of RNA Degradation by Ribonuclease II and its RNA-Bound Complex Nature, 443, 2006
1IOJ	HUMAN APOLIPOPROTEIN C-I, NMR, 18 STRUCTURES Descriptor: APOC-I Authors: Rozek, A, Sparrow, J.T, Weisgraber, K.H, Cushley, R.J. Deposit date: 1998-05-12 Release date: 1998-08-12 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Conformation of human apolipoprotein C-I in a lipid-mimetic environment determined by CD and NMR spectroscopy. Biochemistry, 38, 1999
2IX0	RNase II Descriptor: CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE, EXORIBONUCLEASE 2, ... Authors: Frazao, C, Mcvey, C.E, Amblar, M, Barbas, A, Vonrhein, C, Arraiano, C.M, Carrondo, M.A. Deposit date: 2006-07-05 Release date: 2006-10-05 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Unravelling the Dynamics of RNA Degradation by Ribonuclease II and its RNA-Bound Complex Nature, 7, 2006
2FZ5	Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavodoxin Authors: van Mierlo, C.P.M, Lijnzaad, P, Vervoort, J, Mueller, F, Berendsen, H.J, de Vlieg, J. Deposit date: 2006-02-09 Release date: 2006-03-14 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H NMR and restrained molecular dynamics Eur.J.Biochem., 194, 1990
8PNC	Transcription factor BARHL2 bound to TAAGT DNA sequence Descriptor: BarH-like 2 homeobox protein, DNA Authors: Morgunova, E, Popov, A, Yin, Y, Taipale, J. Deposit date: 2023-06-30 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Transcription factor BARHL2 bound to different DNA sequences To Be Published
8DIC	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIB	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIG	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5 Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIF	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DII	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5 Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIE	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIH	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
1YJ6	crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-zinc-trihydroxide Descriptor: GLUTATHIONE, Glutathione S-transferase Mu 1, ZINC ION Authors: Patskovsky, Y.V, Patskovska, L.N, Listowsky, I, Almo, S.C. Deposit date: 2005-01-13 Release date: 2005-02-01 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Human Glutathione S-Transferase M1A-1A Catalyzes Formation of Gsh-Metal Complexes To be Published
8DBB	Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid Descriptor: CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid Authors: Parkins, A, Banumathi, S, Pantouris, G. Deposit date: 2022-06-14 Release date: 2023-03-08 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.3 Å) Cite: 2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase. Structure, 31, 2023
8DID	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-07-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023

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