5U10
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5TXY
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![BU of 5txy by Molmil](/molmil-images/mine/5txy) | Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase | 分子名称: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B, Peat, T.S, Poulsen, S.-A. | 登録日 | 2016-11-17 | 公開日 | 2017-08-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.206 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5U11
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![BU of 5u11 by Molmil](/molmil-images/mine/5u11) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide | 分子名称: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | 登録日 | 2016-11-27 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5U13
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![BU of 5u13 by Molmil](/molmil-images/mine/5u13) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one | 分子名称: | 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | 登録日 | 2016-11-27 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5U14
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![BU of 5u14 by Molmil](/molmil-images/mine/5u14) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide | 分子名称: | 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide, Dihydropteroate synthase | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | 登録日 | 2016-11-27 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5U0Y
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![BU of 5u0y by Molmil](/molmil-images/mine/5u0y) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | 分子名称: | 1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-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 | 2016-11-27 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5KQT
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![BU of 5kqt by Molmil](/molmil-images/mine/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
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![BU of 5kr3 by Molmil](/molmil-images/mine/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
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![BU of 5kqw by Molmil](/molmil-images/mine/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
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![BU of 5kr5 by Molmil](/molmil-images/mine/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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5WEX
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![BU of 5wex by Molmil](/molmil-images/mine/5wex) | Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors | 分子名称: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F. | 登録日 | 2017-07-10 | 公開日 | 2017-10-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
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5A6H
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![BU of 5a6h by Molmil](/molmil-images/mine/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
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![BU of 5a25 by Molmil](/molmil-images/mine/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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5AKQ
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![BU of 5akq by Molmil](/molmil-images/mine/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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4OZT
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![BU of 4ozt by Molmil](/molmil-images/mine/4ozt) | crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (PonA crystal) | 分子名称: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, N-ETHYLMALEIMIDE, ... | 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 | 2014-02-19 | 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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4OZR
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![BU of 4ozr by Molmil](/molmil-images/mine/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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6CT2
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![BU of 6ct2 by Molmil](/molmil-images/mine/6ct2) | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | 分子名称: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | 著者 | Ren, B, Peat, T.S. | 登録日 | 2018-03-22 | 公開日 | 2018-08-01 | 最終更新日 | 2018-08-22 | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6E3Y
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![BU of 6e3y by Molmil](/molmil-images/mine/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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6MAJ
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![BU of 6maj by Molmil](/molmil-images/mine/6maj) | HBO1 is required for the maintenance of leukaemia stem cells | 分子名称: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | 著者 | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | 登録日 | 2018-08-27 | 公開日 | 2019-12-25 | 最終更新日 | 2020-01-22 | 実験手法 | X-RAY DIFFRACTION (2.139 Å) | 主引用文献 | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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6MAK
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![BU of 6mak by Molmil](/molmil-images/mine/6mak) | HBO1 is required for the maintenance of leukaemia stem cells | 分子名称: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | 著者 | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | 登録日 | 2018-08-27 | 公開日 | 2019-12-25 | 最終更新日 | 2020-01-22 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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1BN6
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![BU of 1bn6 by Molmil](/molmil-images/mine/1bn6) | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | 分子名称: | HALOALKANE DEHALOGENASE | 著者 | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | 登録日 | 1998-07-31 | 公開日 | 2000-02-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Haloalkane dehalogenases: structure of a Rhodococcus enzyme. Biochemistry, 38, 1999
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1BN7
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![BU of 1bn7 by Molmil](/molmil-images/mine/1bn7) | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | 分子名称: | ACETATE ION, HALOALKANE DEHALOGENASE | 著者 | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | 登録日 | 1998-07-31 | 公開日 | 2000-02-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Haloalkane dehalogenases: structure of a Rhodococcus enzyme. Biochemistry, 38, 1999
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1CQW
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![BU of 1cqw by Molmil](/molmil-images/mine/1cqw) | NAI COCRYSTALLISED WITH HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | 分子名称: | HALOALKANE DEHALOGENASE; 1-CHLOROHEXANE HALIDOHYDROLASE, IODIDE ION | 著者 | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | 登録日 | 1999-08-11 | 公開日 | 1999-08-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Haloalkane dehalogenases: structure of a Rhodococcus enzyme. Biochemistry, 38, 1999
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3N9E
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3N9A
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![BU of 3n9a by Molmil](/molmil-images/mine/3n9a) | |