6D1L
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![BU of 6d1l by Molmil](/molmil-images/mine/6d1l) | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | Descriptor: | 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. | Deposit date: | 2018-04-12 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
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6D1M
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![BU of 6d1m by Molmil](/molmil-images/mine/6d1m) | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | Descriptor: | 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. | Deposit date: | 2018-04-12 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
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7MY6
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![BU of 7my6 by Molmil](/molmil-images/mine/7my6) | Se-CrtE C-term His-tag with IPP added | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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1QP8
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![BU of 1qp8 by Molmil](/molmil-images/mine/1qp8) | |
1AY9
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![BU of 1ay9 by Molmil](/molmil-images/mine/1ay9) | WILD-TYPE UMUD' FROM E. COLI | Descriptor: | UMUD PROTEIN | Authors: | Peat, T.S, Frank, E.G, Mcdonald, J.P, Levine, A.S, Woodgate, R, Hendrickson, W.A. | Deposit date: | 1997-11-15 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The UmuD' protein filament and its potential role in damage induced mutagenesis. Structure, 4, 1996
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6D63
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![BU of 6d63 by Molmil](/molmil-images/mine/6d63) | The structure of AtzH: a little known member of the atrazine breakdown pathway | Descriptor: | 3-oxopentanedioic acid, atzH | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L. | Deposit date: | 2018-04-19 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel decarboxylating amidohydrolase involved in avoiding metabolic dead ends during cyanuric acid catabolism in Pseudomonas sp. strain ADP. PLoS ONE, 13, 2018
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8TEB
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![BU of 8teb by Molmil](/molmil-images/mine/8teb) | Structure of MKbur | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Peat, T.S, Newman, J, Esquirol, L, Nebl, T, Scott, C, Vickers, C, Sainsbury, F. | Deposit date: | 2023-07-06 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii. Acta Crystallogr D Struct Biol, 80, 2024
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7K7V
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![BU of 7k7v by Molmil](/molmil-images/mine/7k7v) | The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: iodide derivative | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2020-09-24 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. Acta Crystallogr.,Sect.F, 76, 2020
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5TI8
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7K82
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![BU of 7k82 by Molmil](/molmil-images/mine/7k82) | The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: sulfur SAD | Descriptor: | CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4 | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2020-09-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. Acta Crystallogr.,Sect.F, 76, 2020
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5U0E
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![BU of 5u0e by Molmil](/molmil-images/mine/5u0e) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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1BKB
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![BU of 1bkb by Molmil](/molmil-images/mine/1bkb) | INITIATION FACTOR 5A FROM ARCHEBACTERIUM PYROBACULUM AEROPHILUM | Descriptor: | TRANSLATION INITIATION FACTOR 5A | Authors: | Peat, T.S, Newman, J, Waldo, G.S, Berendzen, J, Terwilliger, T.C. | Deposit date: | 1998-07-05 | Release date: | 1998-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of translation initiation factor 5A from Pyrobaculum aerophilum at 1.75 A resolution. Structure, 6, 1998
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5TY8
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![BU of 5ty8 by Molmil](/molmil-images/mine/5ty8) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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7K7W
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![BU of 7k7w by Molmil](/molmil-images/mine/7k7w) | The X-ray crystal structure of SSR4, an S. pombe chromatin remodelling protein: native | Descriptor: | CHLORIDE ION, GLYCEROL, SWI/SNF and RSC complexes subunit ssr4 | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2020-09-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The X-ray crystal structure of the N-terminal domain of Ssr4, a Schizosaccharomyces pombe chromatin-remodelling protein. Acta Crystallogr.,Sect.F, 76, 2020
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8TFO
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![BU of 8tfo by Molmil](/molmil-images/mine/8tfo) | Structure of MKvar | Descriptor: | (R)-MEVALONATE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Peat, T.S, Newman, J, Esquirol, L, Nebl, T, Scott, C, Vickers, C, Sainsbury, F. | Deposit date: | 2023-07-11 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii. Acta Crystallogr D Struct Biol, 80, 2024
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5TYA
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![BU of 5tya by Molmil](/molmil-images/mine/5tya) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5U0V
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![BU of 5u0v by Molmil](/molmil-images/mine/5u0v) | E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine | Descriptor: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one, ACETIC ACID, Dihydropteroate synthase, ... | Authors: | Peat, T.S, Dennis, M.L, Swarbrick, J.D. | Deposit date: | 2016-11-27 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5U0D
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![BU of 5u0d by Molmil](/molmil-images/mine/5u0d) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5U0F
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![BU of 5u0f by Molmil](/molmil-images/mine/5u0f) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TY1
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![BU of 5ty1 by Molmil](/molmil-images/mine/5ty1) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2016-11-18 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TY9
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![BU of 5ty9 by Molmil](/molmil-images/mine/5ty9) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5U0G
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![BU of 5u0g by Molmil](/molmil-images/mine/5u0g) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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3NF7
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![BU of 3nf7 by Molmil](/molmil-images/mine/3nf7) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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5BK6
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![BU of 5bk6 by Molmil](/molmil-images/mine/5bk6) | Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Putative amidase | Authors: | Peat, T.S, Esquirol, L, Newman, J, Scott, C. | Deposit date: | 2017-09-12 | Release date: | 2018-02-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841. PLoS ONE, 13, 2018
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3QBC
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![BU of 3qbc by Molmil](/molmil-images/mine/3qbc) | |