6EQ4
| MTH1 in complex with fragment 8 | Descriptor: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
6EQ6
| MTH1 in complex with fragment 1 | Descriptor: | 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
|
|
5OW2
| Japanese encephalitis virus capsid protein | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, capsid protein | Authors: | Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Japanese Encephalitis Virus Capsid Protein. Viruses, 11, 2019
|
|
6ERA
| |
2XVU
| |
5OX5
| HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
|
|
4C3I
| Structure of 14-subunit RNA polymerase I at 3.0 A resolution, crystal form C2-100 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA12, DNA-DIRECTED RNA POLYMERASE I SUBUNIT RPA135, ... | Authors: | Fernandez-Tornero, C, Moreno-Morcillo, M, Rashid, U.J, Taylor, N.M.I, Ruiz, F.M, Gruene, T, Legrand, P, Steuerwald, U, Muller, C.W. | Deposit date: | 2013-08-24 | Release date: | 2013-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the 14-Subunit RNA Polymerase I Nature, 502, 2013
|
|
2I0S
| |
5OY4
| GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | Descriptor: | Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ... | Authors: | Bax, B.D, Convery, M.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome. ACS Med Chem Lett, 8, 2017
|
|
2Q57
| |
2I3G
| Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis in complex with NADP+. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2006-08-18 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+). J.Mol.Biol., 367, 2007
|
|
3KL2
| Crystal structure of a putative isochorismatase from Streptomyces avermitilis | Descriptor: | Putative isochorismatase, SULFATE ION | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-11-06 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative isochorismatase from Streptomyces avermitilis To be Published
|
|
6FT8
| Crystal structure of CLK1 in complex with inhibitor 8g | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-20 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype. PLoS ONE, 13, 2018
|
|
6FQE
| Phosphotriesterase PTE_A53_4 | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
|
|
6FWJ
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2018-03-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
|
|
2O3Y
| Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site in Presence of Paromamine Derivative NB30 | Descriptor: | RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3'), SPERMINE | Authors: | Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E. | Deposit date: | 2006-12-02 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites. Chembiochem, 8, 2007
|
|
6FT9
| Crystal structure of CLK1 in complex with inhibitor 16 | Descriptor: | 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, BROMIDE ION, Dual specificity protein kinase CLK1, ... | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-20 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype. PLoS ONE, 13, 2018
|
|
6LN3
| Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shibanuma, Y, Nemoto, N, Yamamoto, N, Sampei, G, Kawai, G. | Deposit date: | 2019-12-28 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP. J.Biochem., 168, 2020
|
|
2I9U
| |
2XVV
| |
2IC1
| Crystal Structure of Human Cysteine Dioxygenase in Complex with Substrate Cysteine | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Ye, S, Wu, X, Wei, L, Tang, D, Sun, P, Rao, Z. | Deposit date: | 2006-09-12 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An Insight into the Mechanism of Human Cysteine Dioxygenase: KEY ROLES OF THE THIOETHER-BONDED TYROSINE-CYSTEINE COFACTOR. J.Biol.Chem., 282, 2007
|
|
3HZN
| Structure of the Salmonella typhimurium nfnB dihydropteridine reductase | Descriptor: | ACETATE ION, CHLORIDE ION, CITRATE ANION, ... | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-06-23 | Release date: | 2009-07-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Salmonella typhimurium nfnB dihydropteridine reductase TO BE PUBLISHED
|
|
3I6R
| Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74 | Descriptor: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase homolog, mitochondrial, ... | Authors: | Deng, X, Phillips, M.A. | Deposit date: | 2009-07-07 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds. J.Biol.Chem., 284, 2009
|
|
2FUI
| |
3HMZ
| |