8E7P
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![BU of 8e7p by Molmil](/molmil-images/mine/8e7p) | Staphylococcus aureus ClpP in complex with compound 3421 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2022-08-24 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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6QVG
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![BU of 6qvg by Molmil](/molmil-images/mine/6qvg) | Human SHMT2 in complex with lometrexol | 分子名称: | 5,10-DIDEAZATETRAHYDROFOLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P. | 登録日 | 2019-03-01 | 公開日 | 2019-09-04 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs. Febs Lett., 593, 2019
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3UKQ
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4OAK
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![BU of 4oak by Molmil](/molmil-images/mine/4oak) | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine-D-Alanine and copper (II) | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-01-04 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
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3UMH
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![BU of 3umh by Molmil](/molmil-images/mine/3umh) | X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with cadmium | 分子名称: | ACETATE ION, Amyloid beta A4 protein, CADMIUM ION | 著者 | Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. | 登録日 | 2011-11-13 | 公開日 | 2012-01-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. J.Mol.Biol., 416, 2012
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1MZI
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![BU of 1mzi by Molmil](/molmil-images/mine/1mzi) | Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope | 分子名称: | 2F5 epitope of HIV-1 gp41 fusion protein | 著者 | Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A. | 登録日 | 2002-10-08 | 公開日 | 2003-09-02 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural analysis of the epitope of the anti-HIV antibody 2F5 sheds light into its mechanism of neutralization and HIV fusion. J.Mol.Biol., 330, 2003
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8E71
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![BU of 8e71 by Molmil](/molmil-images/mine/8e71) | Staphylococcus aureus ClpP in complex with compound 3471 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2022-08-23 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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5DKE
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![BU of 5dke by Molmil](/molmil-images/mine/5dke) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol | 分子名称: | 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-03 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6QVL
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![BU of 6qvl by Molmil](/molmil-images/mine/6qvl) | Human SHMT2 in complex with pemetrexed | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P. | 登録日 | 2019-03-03 | 公開日 | 2019-09-04 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs. Febs Lett., 593, 2019
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4ODO
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![BU of 4odo by Molmil](/molmil-images/mine/4odo) | Structure of SlyD from Thermus thermophilus in complex with FK506 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, ... | 著者 | Quistgaard, E.M, Low, C, Nordlund, P. | 登録日 | 2014-01-10 | 公開日 | 2015-01-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD. BMC Biol., 14, 2016
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3UWQ
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![BU of 3uwq by Molmil](/molmil-images/mine/3uwq) | 1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Halavaty, A.S, Minasov, G, Winsor, J, Shuvalova, L, Kuhn, M, Filippova, E.V, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2011-12-02 | 公開日 | 2011-12-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP) To be Published
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5DL4
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![BU of 5dl4 by Molmil](/molmil-images/mine/5dl4) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol | 分子名称: | 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-04 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4OFP
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![BU of 4ofp by Molmil](/molmil-images/mine/4ofp) | Crystal Structure of SYG-2 D3-D4 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein SYG-2 | 著者 | Ozkan, E, Garcia, K.C. | 登録日 | 2014-01-15 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.), 156, 2014
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6QNM
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6QNQ
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![BU of 6qnq by Molmil](/molmil-images/mine/6qnq) | 70S ribosome initiation complex (IC) with experimentally assigned potassium ions | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G. | 登録日 | 2019-02-11 | 公開日 | 2019-06-19 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction. Nat Commun, 10, 2019
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6QNR
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![BU of 6qnr by Molmil](/molmil-images/mine/6qnr) | 70S ribosome elongation complex (EC) with experimentally assigned potassium ions | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G. | 登録日 | 2019-02-11 | 公開日 | 2019-06-19 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction. Nat Commun, 10, 2019
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3V4A
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![BU of 3v4a by Molmil](/molmil-images/mine/3v4a) | Structure of ar lbd with activator peptide and sarm inhibitor 2 | 分子名称: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | 著者 | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | 登録日 | 2011-12-14 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
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5DKT
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![BU of 5dkt by Molmil](/molmil-images/mine/5dkt) | N-terminal His tagged apPOL exonuclease mutant | 分子名称: | Prex DNA polymerase, SODIUM ION, SULFATE ION | 著者 | Milton, M.E, Honzatko, R.B, Choe, J.Y, Nelson, S.W. | 登録日 | 2015-09-04 | 公開日 | 2016-08-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structure of the Apicoplast DNA Polymerase from Plasmodium falciparum: The First Look at a Plastidic A-Family DNA Polymerase. J.Mol.Biol., 428, 2016
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8EF8
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![BU of 8ef8 by Molmil](/molmil-images/mine/8ef8) | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2022-09-08 | 公開日 | 2023-07-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class To Be Published
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6DAU
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![BU of 6dau by Molmil](/molmil-images/mine/6dau) | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae | 分子名称: | GLYCEROL, Spermidine N1-acetyltransferase | 著者 | Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-02 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae. To be Published
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5DYD
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![BU of 5dyd by Molmil](/molmil-images/mine/5dyd) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol | 分子名称: | 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-24 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.485 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DZ3
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![BU of 5dz3 by Molmil](/molmil-images/mine/5dz3) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol | 分子名称: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-25 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5E1C
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![BU of 5e1c by Molmil](/molmil-images/mine/5e1c) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-29 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DT4
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![BU of 5dt4 by Molmil](/molmil-images/mine/5dt4) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DTV
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![BU of 5dtv by Molmil](/molmil-images/mine/5dtv) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand | 分子名称: | 3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-18 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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