4UVT
| Crystal structure of human tankyrase 2 in complex with 5-amino-4- methyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-4-methylisoquinolin-1(2H)-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4V3K
| RNF38-UbcH5B-UB complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ... | Authors: | Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T. | Deposit date: | 2014-10-20 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin. Mol.Cell, 58, 2015
|
|
4UY3
| Cytoplasmic domain of bacterial cell division protein ezra | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-28 | Release date: | 2014-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
|
|
4PQ8
| Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR465 | Descriptor: | CHLORIDE ION, DESIGNED PROTEIN OR465 | Authors: | Vorobiev, S, Parmeggiani, F, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Park, K, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-02-28 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Crystal Structure of Engineered Protein OR465. To be Published
|
|
4UVV
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4UXV
| Cytoplasmic domain of bacterial cell division protein EzrA | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-27 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.961 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
|
|
4PU2
| Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine L-(R)-LeuP | Descriptor: | Aminopeptidase N, GLYCEROL, LEUCINE PHOSPHONIC ACID, ... | Authors: | Nocek, B, Vassiliou, S, Berlicki, L, Mulligan, R, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-11 | Release date: | 2014-06-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine To be Published
|
|
4PUT
| |
4UX4
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-19 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases. Bioorg.Med.Chem., 23, 2015
|
|
4UVX
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4PQE
| Crystal Structure of Human Acetylcholinesterase | Descriptor: | Acetylcholinesterase | Authors: | Dym, O, Unger, T, Toker, L, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2014-03-02 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Acetylcholinesterase To be Published
|
|
4UVY
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4UVW
| Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4PSJ
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR464. | Descriptor: | OR464 | Authors: | Vorobiev, S, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Janjua, H, Xiao, R, Maglaqui, M, Park, K, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-03-07 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Crystal Structure of Engineered Protein OR464. To be Published
|
|
4URV
| The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4UVU
| Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | Descriptor: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4UWI
| Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
|
|
4UWJ
| Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
|
|
4V3L
| RNF38-UB-UbcH5B-Ub complex | Descriptor: | 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF38, POLYUBIQUITIN-C, ... | Authors: | Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T. | Deposit date: | 2014-10-20 | Release date: | 2015-04-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin. Mol.Cell, 58, 2015
|
|
4WFS
| Crystal Structure of tRNA-dihydrouridine(20) synthase catalytic domain | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D. | Deposit date: | 2014-09-17 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | An extended dsRBD is required for post-transcriptional modification in human tRNAs. Nucleic Acids Res., 43, 2015
|
|
4WGI
| A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | Descriptor: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | Deposit date: | 2014-09-18 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). Acs Med.Chem.Lett., 5, 2014
|
|
4URH
| High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2014-06-30 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
|
|
4WIN
| Crystal structure of the GATase domain from Plasmodium falciparum GMP synthetase | Descriptor: | GMP synthetase, NITRATE ION | Authors: | Ballut, L, Violot, S, Haser, R, Aghajari, N. | Deposit date: | 2014-09-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation. Nat Commun, 6, 2015
|
|
4PSH
| Structure of holo ArgBP from T. maritima | Descriptor: | ABC-type transporter, periplasmic subunit family 3, ARGININE | Authors: | Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L. | Deposit date: | 2014-03-07 | Release date: | 2014-07-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima Plos One, 9, 2014
|
|
4WJQ
| Crystal Structure of SUMO1 in complex with Daxx | Descriptor: | Daxx, Small ubiquitin-related modifier 1 | Authors: | Cappadocia, L, Mascle, X.H, Bourdeau, V, Tremblay-Belzile, S, Chaker-Margot, M, Lussier-Price, M, Wada, J, Sakaguchi, K, Aubry, M, Ferbeyre, G, Omichinski, J.G. | Deposit date: | 2014-10-01 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1. Structure, 23, 2015
|
|