9D6J
| Nitrile hydratase BR52K mutant | Descriptor: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | Authors: | Miller, C.G, Holz, R.C, Liu, D, Kaley, N. | Deposit date: | 2024-08-15 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Role of second-sphere arginine residues in metal binding and metallocentre assembly in nitrile hydratases. J Inorg Biochem, 256, 2024
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9J4L
| Crystal structure of GH9l Inulin fructotransferases (IFTase) | Descriptor: | DFA-III-forming inulin fructotransferase | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | Deposit date: | 2024-08-09 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 277, 2024
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9D6M
| Nitrile hydratase BR157K mutant | Descriptor: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | Authors: | Miller, C.G, Holz, R.C, Liu, D, Kaley, N. | Deposit date: | 2024-08-15 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Role of second-sphere arginine residues in metal binding and metallocentre assembly in nitrile hydratases. J Inorg Biochem, 256, 2024
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9ESA
| Aurora-C with SER mutation in complex with INCENP peptide | Descriptor: | 1,2-ETHANEDIOL, Aurora kinase C, Inner centromere protein | Authors: | Hillig, R.C. | Deposit date: | 2024-03-26 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Surface-mutagenesis strategies to enable structural biology crystallization platforms. Acta Crystallogr D Struct Biol, 2024
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9BQ4
| YTP-E E148D, a weakly yellow thermostable protein | Descriptor: | 4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID, Weakly yellow thermostable protein YTP-E | Authors: | Padgett, C, Ogbeifun, V, DeVore, N.M. | Deposit date: | 2024-05-09 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Crystal Structure of Thermal Green Protein Q66E (TGP-E) and Yellow Thermostable Protein (YTP-E) E148D SynBio, 2, 2024
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9J4I
| Crystal structure of GH9l Inulin fructotransferases (IFTase) in compex with fruetosyl nystose (GF4) | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | Deposit date: | 2024-08-09 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 277, 2024
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9D65
| Nitrile hydratase BR52A mutant | Descriptor: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | Authors: | Miller, C.G, Holz, R.C, Liu, D, Kaley, N. | Deposit date: | 2024-08-14 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Role of second-sphere arginine residues in metal binding and metallocentre assembly in nitrile hydratases. J Inorg Biochem, 256, 2024
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9CUO
| Crystal structure of CRBN with compound 3 | Descriptor: | (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, Protein cereblon, ... | Authors: | Zheng, X, Ji, N, Campbell, V, Slavin, A, Zhu, X, Chen, D, Rong, H, Enerson, B, Mayo, M, Sharma, K, Browne, C.M, Klaus, C.R, Li, H, Massa, G, McDonald, A.A, Shi, Y, Sintchak, M, Skouras, S, Walther, D.M, Yuan, K, Zhang, Y, Kelleher, J, Guang, L, Luo, X, Mainolfi, N, Weiss, M.M. | Deposit date: | 2024-07-26 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases. J.Med.Chem., 2024
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6ET8
| Crystal structure of AlbA in complex with albicidin | Descriptor: | Albicidin resistance protein, SULFATE ION, albicidin | Authors: | Driller, R, Rostock, L, Alings, C, Graetz, S, Suessmuth, R, Mainz, A, Wahl, M.C, Loll, B. | Deposit date: | 2017-10-25 | Release date: | 2018-08-15 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular insights into antibiotic resistance - how a binding protein traps albicidin. Nat Commun, 9, 2018
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5MPK
| Crystal structure of CREBBP bromodomain complexed with DK19 | Descriptor: | CREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6ESS
| Artificial imine reductase mutant S112A-N118P-K121A-S122M | Descriptor: | IRIDIUM ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R. | Deposit date: | 2017-10-24 | Release date: | 2018-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Directed Evolution of an Artificial Imine Reductase. Angew. Chem. Int. Ed. Engl., 57, 2018
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6F3L
| The crystal structure of Glycogen Phosphorylase in complex with 10b | Descriptor: | 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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6ESK
| Structure of the apo form of AioX from Rhizobium sp. str. NT-26 | Descriptor: | GLYCEROL, Putative periplasmic phosphite-binding-like protein (Pbl) PtxB-like protein designated AioX | Authors: | Djordjevic, S, Badilla, C, Cole, A, Santini, J. | Deposit date: | 2017-10-20 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A new family of periplasmic-binding proteins that sense arsenic oxyanions. Sci Rep, 8, 2018
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2YWV
| Crystal structure of SAICAR synthetase from Geobacillus kaustophilus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylaminoimidazole succinocarboxamide synthetase, ... | Authors: | Kanagawa, M, Baba, S, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-23 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of SAICAR synthetase from Geobacillus kaustophilus To be Published
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2XKS
| Prion-like conversion during amyloid formation at atomic resolution | Descriptor: | BETA-2-MICROGLOBULIN | Authors: | Eichner, T, Kalverda, A.P, Thompson, G.S, Radford, S.E, Homans, S.W. | Deposit date: | 2010-07-12 | Release date: | 2011-02-16 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Conformational Conversion During Amyloid Formation at Atomic Resolution. Mol.Cell, 41, 2011
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6F34
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7ZCY
| Sporosarcina pasteurii urease (SPU) co-crystallized in the presence of an Ebselen-derivative and bound to Se atoms | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide, ... | Authors: | Mazzei, L, Ciurli, S, Cianci, M. | Deposit date: | 2022-03-29 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimized Ebselen-Based Inhibitors of Bacterial Ureases with Nontypical Mode of Action. J.Med.Chem., 66, 2023
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5MMG
| Crystal structure of CREBBP bromodomain complexed with UT07C | Descriptor: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2016-12-09 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6F3J
| The crystal structure of Glycogen Phosphorylase in complex with 10a | Descriptor: | 4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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6F3U
| The crystal structure of Glycogen Phosphorylase in complex with 10h | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Gkerdi, A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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5MPN
| Crystal structure of CREBBP bromodomain complexed with FA26 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6F8W
| Crystal structure of the PDE4D catalytic domain in complex with GEBR-18a | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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6ESU
| Artificial imine reductase mutant S112A-N118P-K121A-S122M | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide, ACETATE ION, IRIDIUM ION, ... | Authors: | Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R. | Deposit date: | 2017-10-24 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Directed Evolution of an Artificial Imine Reductase. Angew. Chem. Int. Ed. Engl., 57, 2018
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6EZE
| The open conformation of E.coli Elongation Factor Tu in complex with GDPNP. | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongation factor Tu 2, GLYCEROL, ... | Authors: | Johansen, J.S, Blaise, M, Thirup, S.S. | Deposit date: | 2017-11-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | E. coli elongation factor Tu bound to a GTP analogue displays an open conformation equivalent to the GDP-bound form. Nucleic Acids Res., 46, 2018
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6F3R
| The crystal structure of Glycogen Phosphorylase in complex with 10c | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2017-11-28 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. Eur J Med Chem, 147, 2018
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