6RHY
 
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6S9B
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | | 分子名称: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | | 著者 | Bader, G. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | 分子名称: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | 著者 | Bader, G. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9D
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | | 分子名称: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | | 著者 | Bader, G. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6RJ6
 | | Crystal structure of PHGDH in complex with BI-4924 | | 分子名称: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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8OFK
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group C 2 2 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-15 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.713 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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8OIH
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group C 2 2 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, BROMIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-22 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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6CWA
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8OH8
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group P 21 21 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-20 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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8OIW
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-23 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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2LVZ
 | | Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex | | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Eosinophil cationic protein | | 著者 | Garcia Mayoral, M, Canales, A, Diaz, D, Lopez Prados, J, Moussaoui, M, de Paz, J, Angulo, J, Nieto, P, Jimenez Barbero, J, Boix, E, Bruix, M. | | 登録日 | 2012-07-17 | | 公開日 | 2013-07-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR.
Acs Chem.Biol., 8, 2013
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8TQD
 | | NF-Kappa-B1 Bound with a Covalent Inhibitor | | 分子名称: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | | 著者 | Hilbert, B.J. | | 登録日 | 2023-08-07 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
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4ZXF
 | | Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | | 分子名称: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | | 著者 | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | | 登録日 | 2015-05-20 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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4ZWN
 | | Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae | | 分子名称: | Monoglyceride lipase, NITRATE ION, SODIUM ION, ... | | 著者 | Aschauer, P, Rengachari, S, Gruber, K, Oberer, M. | | 登録日 | 2015-05-19 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | | 主引用文献 | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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3FDT
 | | Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide | | 分子名称: | Chromobox protein homolog 5, H3K9(me)3 peptide | | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-11-26 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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3H91
 | | Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide | | 分子名称: | Chromobox protein homolog 2, H3K27 peptide | | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-29 | | 公開日 | 2009-08-18 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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7AFW
 | | Beta-Catenin in complex with compound 6 | | 分子名称: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2020-09-21 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | | 主引用文献 | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods.
Chemmedchem, 16, 2021
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7ACF
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3GV6
 | | Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide | | 分子名称: | Chromobox protein homolog 6, Histone H3K9me3 peptide | | 著者 | Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-03-30 | | 公開日 | 2009-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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4KE8
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with monopalmitoyl glycerol analogue | | 分子名称: | Thermostable monoacylglycerol lipase, tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate | | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | 登録日 | 2013-04-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4KE6
 | | Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol | | 分子名称: | (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | 登録日 | 2013-04-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4KE9
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue | | 分子名称: | Thermostable monoacylglycerol lipase, hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate | | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | 登録日 | 2013-04-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2013-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4KE7
 | | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-myristoyl glycerol analogue | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase, dodecyl hydrogen (S)-(3-azidopropyl)phosphonate | | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | 登録日 | 2013-04-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2013-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4KEA
 | | Crystal structure of D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in space group P212121 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | | 著者 | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | 登録日 | 2013-04-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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8TVI
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