5G26
 
 | | Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN | | 著者 | Zabara, A, Newman, J, Peat, T.S. | | 登録日 | 2016-04-07 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins.
Nanoscale, 9, 2017
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7M23
 | | Human carbonic anhydrase II in complex with troglitazone | | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION | | 著者 | Mueller, S.L, Peat, T.S. | | 登録日 | 2021-03-16 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
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7M26
 | | Human carbonic anhydrase II in complex with pioglitazone | | 分子名称: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | 著者 | Mueller, S.L, Peat, T.S. | | 登録日 | 2021-03-16 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
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7M24
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6BA4
 | | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | | 分子名称: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | 登録日 | 2017-10-12 | | 公開日 | 2018-08-01 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (1.949 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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6BA2
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | | 分子名称: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | 登録日 | 2017-10-11 | | 公開日 | 2018-08-01 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (1.85003817 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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3N9E
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3N9A
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3N9C
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6PGE
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6PG7
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6PGC
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6PGD
 | | WDR5delta32 bound to peptidomimetic | | 分子名称: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5 | | 著者 | Dennis, M.L, Peat, T.S. | | 登録日 | 2019-06-24 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
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6PG6
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6PGF
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5G0B
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, CHLORIDE ION, GLYCEROL, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | 登録日 | 2016-03-17 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 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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5G03
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SULFATE ION, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | 登録日 | 2016-03-16 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 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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5G01
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | 登録日 | 2016-03-16 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 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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5G0C
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | 登録日 | 2016-03-17 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 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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5G4Z
 | | Structural basis for carboxylic acid recognition by a Cache chemosensory domain. | | 分子名称: | Methyl-accepting chemotaxis sensory transducer with Cache sensor, TRIETHYLENE GLYCOL, UNKNOWN LIGAND | | 著者 | Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L. | | 登録日 | 2016-05-18 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
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5G4Y
 | | Structural basis for carboxylic acid recognition by a Cache chemosensory domain. | | 分子名称: | Methyl-accepting chemotaxis sensory transducer with Cache sensor, UNKNOWN LIGAND | | 著者 | Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L. | | 登録日 | 2016-05-18 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
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5ETL
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.82 angstrom resolution | | 分子名称: | 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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5ETM
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.46 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CALCIUM ION, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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5ETN
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.40 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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5ETK
 | | E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.09 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, CALCIUM ION, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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