4NRB
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | 著者 | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-11-26 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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3T6P
| IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization | 分子名称: | Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J. | 登録日 | 2011-07-28 | 公開日 | 2011-11-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination. Science, 334, 2011
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6PRL
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6PYQ
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4NR9
| Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-11-26 | 公開日 | 2013-12-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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6PZ6
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4YIL
| OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE | 分子名称: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ... | 著者 | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | 登録日 | 2015-03-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | 主引用文献 | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams Adv.Synth.Catal., 357, 2015
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4JZJ
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4DPL
| Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with NadP | 分子名称: | Malonyl-CoA/succinyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND | 著者 | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | 登録日 | 2012-02-13 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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6QSQ
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4DPM
| Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | 分子名称: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | 著者 | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | 登録日 | 2012-02-13 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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4DPK
| Structure of malonyl-coenzyme A reductase from crenarchaeota | 分子名称: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | 著者 | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | 登録日 | 2012-02-13 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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4MR4
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-09-17 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4NRC
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | 著者 | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-11-26 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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4MZA
| Crystal structure of hPIV3 hemagglutinin-neuraminidase | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Xu, R, Wilson, I.A. | 登録日 | 2013-09-29 | 公開日 | 2013-11-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | 主引用文献 | Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo. MBio, 4, 2013
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4YNC
| OYE1 W116A COMPLEXED WITH (Z)-METHYL-3-CYANO-3-PHENYLACRYLATE IN A NON PRODUCTIVE BINDING MODE | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, ... | 著者 | Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W. | 登録日 | 2015-03-09 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | 主引用文献 | Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams Adv.Synth.Catal., 357, 2015
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5A1F
| Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine. | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | 著者 | Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2015-04-29 | 公開日 | 2015-05-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A3T
| Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid). | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2015-06-02 | 公開日 | 2015-06-17 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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4HBY
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4HBV
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | 分子名称: | 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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2QVM
| The second Ca2+-binding domain of the Na+-Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis | 分子名称: | CALCIUM ION, Sodium/calcium exchanger 1 | 著者 | Chaptal, V, Mercado Besserer, G, Abramson, J, Cascio, D. | 登録日 | 2007-08-08 | 公開日 | 2007-11-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | The second Ca2+-binding domain of the Na+ Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis Proc.Natl.Acad.Sci.Usa, 104, 2007
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4NRA
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322 | 分子名称: | 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-11-26 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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4GPJ
| Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | 分子名称: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-08-21 | 公開日 | 2012-10-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
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4HBW
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4HBX
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | 分子名称: | 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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