3REW
| Crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E. | Deposit date: | 2011-04-05 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
6H48
| A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | Descriptor: | Orf20 | Authors: | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | Deposit date: | 2018-07-20 | Release date: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature. Nat Commun, 10, 2019
|
|
1OFP
| CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE | Descriptor: | PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
|
|
6H49
| A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | Descriptor: | Orf20, SULFATE ION | Authors: | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | Deposit date: | 2018-07-20 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature. Nat Commun, 10, 2019
|
|
6H4D
| Crystal structure of RsgA from Pseudomonas aeruginosa | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ZINC ION | Authors: | Rocchio, S, Santorelli, D, Travaglini-Allocatelli, C, Federici, L, Di Matteo, A. | Deposit date: | 2018-07-20 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional investigation of the Small Ribosomal Subunit Biogenesis GTPase A (RsgA) from Pseudomonas aeruginosa. Febs J., 286, 2019
|
|
1OFQ
| CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II) | Descriptor: | MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R. | Deposit date: | 2003-04-17 | Release date: | 2004-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism J.Mol.Biol., 337, 2004
|
|
6GYX
| |
6H11
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.516 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 To be published
|
|
6H6G
| Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region | Descriptor: | TcdB2,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
|
|
1OKT
| X-ray Structure of Glutathione S-Transferase from the Malarial Parasite Plasmodium falciparum | Descriptor: | FORMIC ACID, GLUTATHIONE S-TRANSFERASE | Authors: | Fritz-Wolf, K, Becker, A, Rahlfs, s, Harwaldt, P, Schirmer, R.H, Kabsch, W, Becker, K. | Deposit date: | 2003-07-29 | Release date: | 2003-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray Structure of Glutathione S-Transferase from the Malarial Parasite Plasmodium Falciparum Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
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
|
|
6GLB
| Crystal structure of JAK3 in complex with Compound 20 (FM484) | Descriptor: | 1,2-ETHANEDIOL, 1-phenylurea, 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile, ... | Authors: | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-23 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
|
|
6GLV
| Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | hMTH1 D120N in complex with TH scaffold 1 To Be Published
|
|
6GMR
| pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol | Descriptor: | (4-pyrrol-1-ylphenyl)methanol, Elongin-B, Elongin-C, ... | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | Deposit date: | 2018-05-28 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase. J. Med. Chem., 61, 2018
|
|
6GOK
| X-ray structure of the adduct formed upon reaction of bovine pancreatic ribonuclease with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | Descriptor: | N,N-pyridylbenzimidazole derivative-Pd complex, PALLADIUM ION, Ribonuclease pancreatic | Authors: | Merlino, A, Ferraro, G. | Deposit date: | 2018-06-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography. Dalton Trans, 47, 2018
|
|
1UG9
| Crystal Structure of Glucodextranase from Arthrobacter globiformis I42 | Descriptor: | CALCIUM ION, GLYCEROL, glucodextranase | Authors: | Mizuno, M, Tonozuka, T, Suzuki, S, Uotsu-Tomita, R, Ohtaki, A, Kamitori, S, Nishikawa, A, Sakano, Y. | Deposit date: | 2003-06-16 | Release date: | 2003-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into substrate specificity and function of glucodextranase J.Biol.Chem., 279, 2004
|
|
1TUU
| Acetate Kinase crystallized with ATPgS | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, ... | Authors: | Gorrell, A, Lawrence, S.H, Ferry, J.G. | Deposit date: | 2004-06-25 | Release date: | 2005-01-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and kinetic analyses of arginine residues in the active site of the acetate kinase from Methanosarcina thermophila. J. Biol. Chem., 280, 2005
|
|
6GLI
| |
6GLN
| Crystal structure of hMTH1 N33A in complex with TH scaffold 1 in the absence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | hMTH1 N33A in complex with TH scaffold 1 To Be Published
|
|
6GPS
| CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 | Descriptor: | C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium | Authors: | Pautsch, A, Schnapp, G. | Deposit date: | 2018-06-07 | Release date: | 2019-01-02 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists. Structure, 27, 2019
|
|
1E43
| Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.7A | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, SODIUM ION | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-27 | Release date: | 2001-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
|
|
6GR2
| Structure of human galactokinase in complex with galactose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ... | Authors: | Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of human galactokinase in complex with galactose and ADP To Be Published
|
|
6GVJ
| Human Mps1 kinase domain with ordered activation loop | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, GLYCEROL | Authors: | Roorda, J.C, Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2018-06-21 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A crystal structure of the human protein kinase Mps1 reveals an ordered conformation of the activation loop. Proteins, 87, 2019
|
|
6GTP
| Structure of the AtaT Y144F mutant toxin | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2018-06-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
|
|
4MK8
| Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
|
|