6AUX
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![BU of 6aux by Molmil](/molmil-images/mine/6aux) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-09-01 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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6AV7
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![BU of 6av7 by Molmil](/molmil-images/mine/6av7) | Structure of human endothelial nitric oxide synthase heme domain in complex with HW69 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-09-01 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.916 Å) | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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5DID
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![BU of 5did by Molmil](/molmil-images/mine/5did) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | 分子名称: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, 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 | 2015-08-31 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 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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1UUI
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![BU of 1uui by Molmil](/molmil-images/mine/1uui) | NMR structure of a synthetic small molecule, rbt158, bound to HIV-1 TAR RNA | 分子名称: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM, 5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP* CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C)-3' | 著者 | Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F. | 登録日 | 2003-12-19 | 公開日 | 2004-02-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots" J.Mol.Biol., 336, 2004
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5DUH
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![BU of 5duh by Molmil](/molmil-images/mine/5duh) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | 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 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.24 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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5DUG
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![BU of 5dug by Molmil](/molmil-images/mine/5dug) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | 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 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.252 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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3F8W
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![BU of 3f8w by Molmil](/molmil-images/mine/3f8w) | Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase in complex with adenosine | 分子名称: | ADENOSINE, DIMETHYL SULFOXIDE, Purine-nucleoside phosphorylase, ... | 著者 | Pereira, H.M, Rezende, M.M, Garratt, R.C, Oliva, G. | 登録日 | 2008-11-13 | 公開日 | 2009-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni. Acta Crystallogr.,Sect.D, 66, 2010
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5DZ1
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![BU of 5dz1 by Molmil](/molmil-images/mine/5dz1) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol | 分子名称: | 4,4'-[(4-ethylcyclohexylidene)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 (2.2 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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5DXM
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![BU of 5dxm by Molmil](/molmil-images/mine/5dxm) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol | 分子名称: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, 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 | 2015-09-23 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.37 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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1YNJ
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![BU of 1ynj by Molmil](/molmil-images/mine/1ynj) | Taq RNA polymerase-Sorangicin complex | 分子名称: | DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ... | 著者 | Campbell, E.A, Pavlova, O, Zenkin, N, Leon, F, Irschik, H, Jansen, R, Severinov, K, Darst, S.A. | 登録日 | 2005-01-24 | 公開日 | 2005-03-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural, functional, and genetic analysis of sorangicin inhibition of bacterial RNA polymerase Embo J., 24, 2005
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4LHW
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![BU of 4lhw by Molmil](/molmil-images/mine/4lhw) | Crystal structure of Rab8 in its active GppNHp-bound form | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | 登録日 | 2013-07-01 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHX
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![BU of 4lhx by Molmil](/molmil-images/mine/4lhx) | Crystal structure of nucleotide-free Rab8:Rabin8 | 分子名称: | Rab-3A-interacting protein, Ras-related protein Rab-8A, SULFATE ION | 著者 | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | 登録日 | 2013-07-01 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4IQ1
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![BU of 4iq1 by Molmil](/molmil-images/mine/4iq1) | Crystal structure of glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM Mannheimia haemolytica, SUBSTRATE-FREE | 分子名称: | CHLORIDE ION, GLYCEROL, Glutathione transferase | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, AL Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-01-10 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure of probable glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM Mannheimia haemolytica, Substrate-free To be Published
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4IW9
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![BU of 4iw9 by Molmil](/molmil-images/mine/4iw9) | Crystal structure of glutathione s-transferase mha_0454 (target efi-507015) from mannheimia haemolytica, gsh complex | 分子名称: | ACETATE ION, CHLORIDE ION, GLUTATHIONE, ... | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-01-23 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal Structure of Probable Glutathione S-Transferase Mha_0454 (Target Efi-507015) from Mannheimia Haemolytica To be Published
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4IWC
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![BU of 4iwc by Molmil](/molmil-images/mine/4iwc) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative | 分子名称: | 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IYM
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![BU of 4iym by Molmil](/molmil-images/mine/4iym) | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 | 分子名称: | MAGNESIUM ION, Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-01-28 | 公開日 | 2013-04-03 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934 To be Published
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5DI7
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![BU of 5di7 by Molmil](/molmil-images/mine/5di7) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | 分子名称: | (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, 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 | 2015-08-31 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.241 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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1XJY
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![BU of 1xjy by Molmil](/molmil-images/mine/1xjy) | The crystal structures of the DNA binding sites of the RUNX1 transcription factor | 分子名称: | 5'-D(*TP*CP*TP*GP*CP*GP*GP*TP*C)-3', 5'-D(*TP*GP*AP*CP*CP*GP*CP*AP*G)-3' | 著者 | Kitayner, M, Rozenberg, H, Rabinovich, D, Shakked, Z. | 登録日 | 2004-09-26 | 公開日 | 2005-03-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of the DNA-binding site of Runt-domain transcription regulators. Acta Crystallogr.,Sect.D, 61, 2005
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1CQP
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![BU of 1cqp by Molmil](/molmil-images/mine/1cqp) | CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION | 分子名称: | ANTIGEN CD11A (P180), LOVASTATIN, MAGNESIUM ION | 著者 | Kallen, J, Welzenbach, K, Ramage, P, Geyl, D, Kriwacki, R, Legge, G, Cottens, S, Weitz-Schmidt, G, Hommel, U. | 登録日 | 1999-08-10 | 公開日 | 2000-08-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain. J.Mol.Biol., 292, 1999
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4LI0
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![BU of 4li0 by Molmil](/molmil-images/mine/4li0) | Crystal structure of GDP-bound Rab8:GRAB | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide exchange factor for Rab-3A, Ras-related protein Rab-8A | 著者 | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | 登録日 | 2013-07-01 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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1XR0
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![BU of 1xr0 by Molmil](/molmil-images/mine/1xr0) | Structural Basis of SNT PTB Domain Interactions with Distinct Neurotrophic Receptors | 分子名称: | Basic fibroblast growth factor receptor 1, FGFR signalling adaptor SNT-1 | 著者 | Dhalluin, C, Yan, K.S, Plotnikova, O, Lee, K.W, Zeng, L, Kuti, M, Mujtaba, S, Goldfarb, M.P, Zhou, M.-M. | 登録日 | 2004-10-13 | 公開日 | 2004-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Basis of SNT PTB Domain Interactions with Distinct Neurotrophic Receptors Mol.Cell, 6, 2000
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6SDT
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![BU of 6sdt by Molmil](/molmil-images/mine/6sdt) | |
4JDP
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![BU of 4jdp by Molmil](/molmil-images/mine/4jdp) | Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound | 分子名称: | CHLORIDE ION, MAGNESIUM ION, p-nitrophenyl phosphatase (Pho2) | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Allen, K.N, Dunaway-Mariano, D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-02-25 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structure of probable p-nitrophenyl phosphatase from Archaeoglobus fulgidus. To be Published
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5DXP
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![BU of 5dxp by Molmil](/molmil-images/mine/5dxp) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | 分子名称: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, 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 | 2015-09-23 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.201 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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5DZ0
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![BU of 5dz0 by Molmil](/molmil-images/mine/5dz0) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol | 分子名称: | 4,4'-[(4-methylcyclohexylidene)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 (2.24 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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