1XLF
| MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | Descriptor: | D-XYLOSE ISOMERASE, D-gluconic acid, MANGANESE (II) ION | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | Deposit date: | 1991-10-09 | Release date: | 1993-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift. J.Mol.Biol., 212, 1990
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3MEY
| Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bll0957 protein, MAGNESIUM ION, ... | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | Deposit date: | 2010-04-01 | Release date: | 2010-07-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Proc.Natl.Acad.Sci.USA, 107, 2010
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5N8H
| Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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1DJI
| PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH CALCIUM | Descriptor: | ACETATE ION, CALCIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ... | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | Deposit date: | 1996-09-25 | Release date: | 1997-07-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1. Biochemistry, 36, 1997
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5N8G
| Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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6GTN
| Achromobacter cycloclastes copper nitrite reductase at pH 6.5 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | Authors: | Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2018-06-18 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography. Iucrj, 6, 2019
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4YE6
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4YE9
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1BPJ
| THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-11 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance". Biochemistry, 39, 2000
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4NRC
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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5N8I
| Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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4YE8
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4YEU
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4P75
| PheRS in complex with compound 4a | Descriptor: | 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | Authors: | Ferguson, A.D. | Deposit date: | 2014-03-25 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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2DQ6
| Crystal Structure of Aminopeptidase N from Escherichia coli | Descriptor: | Aminopeptidase N, SULFATE ION, ZINC ION | Authors: | Nakajima, Y, Onohara, Y, Ito, K, Yoshimoto, T. | Deposit date: | 2006-05-22 | Release date: | 2006-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Aminopeptidase N (proteobacteria alanyl aminopeptidase) from Escherichia coli: Crystal structure and conformational change of the methionine 260 residue involved in substrate recognition J.Biol.Chem., 281, 2006
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4IQ6
| Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195. ACS Med Chem Lett, 4, 2013
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8OGD
| Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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8OGE
| Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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2IJ7
| Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roujeinikova, A, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode. J.Biol.Chem., 281, 2006
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2VUK
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1XLB
| MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | Deposit date: | 1991-10-09 | Release date: | 1993-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift. J.Mol.Biol., 212, 1990
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3JW0
| E2~Ubiquitin-HECT | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2 | Authors: | Kamadurai, H.B, Schulman, B.A. | Deposit date: | 2009-09-17 | Release date: | 2010-01-12 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Insights into ubiquitin transfer cascades from a structure of a UbcH5B approximately ubiquitin-HECT(NEDD4L) complex. Mol.Cell, 36, 2009
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4P72
| PheRS in complex with compound 2a | Descriptor: | 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | Authors: | Ferguson, A.D. | Deposit date: | 2014-03-25 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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7OCA
| Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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7OCD
| Resting state GluA1/A2 heterotetramer in complex with auxiliary subunit TARP gamma 8 (LBD-TMD) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 2, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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