5VGY
| Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2017-04-11 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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6WEV
| Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Peat, T.S, Dennis, M, Newman, J. | Deposit date: | 2020-04-03 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WKA
| human carbonic anhydrase II bound to an inhibitor modified with azidothymidine | Descriptor: | 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S. | Deposit date: | 2020-04-15 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors. J.Med.Chem., 63, 2020
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4OVL
| Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-21 | Release date: | 2014-03-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interrogating HIV integrase for compounds that bind--a SAMPL challenge. J. Comput. Aided Mol. Des., 28, 2014
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4V1Y
| The structure of the hexameric atrazine chlorohydrolase, AtzA | Descriptor: | 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C. | Deposit date: | 2014-10-04 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D, 71, 2015
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4V1X
| The structure of the hexameric atrazine chlorohydrolase, AtzA | Descriptor: | ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION | Authors: | Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C. | Deposit date: | 2014-10-04 | Release date: | 2015-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D, 71, 2015
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5HY4
| Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes | Descriptor: | Ring-opening amidohydrolase | Authors: | Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C. | Deposit date: | 2016-02-01 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes. Appl. Environ. Microbiol., 83, 2017
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8W0O
| GDH-105 crystal structure | Descriptor: | CHLORIDE ION, Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2024-02-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Enhancing the Imine Reductase Activity of a Promiscuous Glucose Dehydrogenase for Scalable Manufacturing of a Chiral Neprilysin Inhibitor Precursor Acs Catalysis, 14, 2024
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8W0N
| IRED crystal structure | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, IRED, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2024-02-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Enhancing the Imine Reductase Activity of a Promiscuous Glucose Dehydrogenase for Scalable Manufacturing of a Chiral Neprilysin Inhibitor Precursor Acs Catalysis, 14, 2024
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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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6PII
| The evolving story of AtzT, a periplasmic binding protein | Descriptor: | Atrazine periplasmic binding protein, CALCIUM ION, ETHYL MERCURY ION, ... | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The evolving story of AtzT, a periplasmic binding protein. Acta Crystallogr D Struct Biol, 75, 2019
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6PI5
| The evolving story of AtzT, a periplasmic binding protein | Descriptor: | Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The evolving story of AtzT, a periplasmic binding protein. Acta Crystallogr D Struct Biol, 75, 2019
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6PI6
| The evolving story of AtzT, a periplasmic binding protein | Descriptor: | 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol, Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The evolving story of AtzT, a periplasmic binding protein. Acta Crystallogr D Struct Biol, 75, 2019
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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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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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7MY0
| Sy-CrtE IPP structure | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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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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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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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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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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3QBC
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7MY1
| Sy-CrtE structure with IPP, N-term His-tag | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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7MXZ
| Sy-CrtE apo structure | Descriptor: | CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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7MY7
| Se-CrtE N-term His-tag structure | Descriptor: | Farnesyl-diphosphate synthase | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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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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