5V7A
 
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid | | 分子名称: | CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2017-03-20 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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5U10
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6E3Y
 | | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | | 分子名称: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | | 登録日 | 2018-07-16 | | 公開日 | 2018-09-19 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018
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4OZR
 | | Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal) | | 分子名称: | Ecdysone receptor, Retinoid X receptor | | 著者 | Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J. | | 登録日 | 2014-02-18 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
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5AKQ
 | | X-ray structure and mutagenesis studies of the N-isopropylammelide isopropylaminohydrolase, AtzC | | 分子名称: | CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ZINC ION | | 著者 | Balotra, S, Warden, A.C, Newman, J, Briggs, L.J, Scott, C, Peat, T.S. | | 登録日 | 2015-03-05 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
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5A6H
 | | Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S. | | 登録日 | 2015-06-26 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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5A25
 | | Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst | | 分子名称: | CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ... | | 著者 | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | | 登録日 | 2015-05-12 | | 公開日 | 2015-05-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
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4RN4
 | | Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety | | 分子名称: | 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ... | | 著者 | Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. | | 登録日 | 2014-10-22 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.
J.Med.Chem., 58, 2015
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5KR4
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KR6
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-07 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KQU
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KQT
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 4-aminoburyrate transaminase, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KR3
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KQW
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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5KR5
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 4-aminobutyrate transaminase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-07 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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3N9E
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3N9A
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3N9C
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4ABB
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4ABH
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4ABF
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4ABG
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4ABA
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | 分子名称: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | | 著者 | Newman, J, Peat, T.S. | | 登録日 | 2011-12-08 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4ABD
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4AB8
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | 分子名称: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | | 著者 | Newman, J, Peat, T.S. | | 登録日 | 2011-12-08 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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