5DRM
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![BU of 5drm by Molmil](/molmil-images/mine/5drm) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 2,5-diarylthiophene-core ligand 4,4'-thiene-2,5-diylbis(3-chlorophenol) | 分子名称: | 4,4'-thiene-2,5-diylbis(3-chlorophenol), 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 | 2015-09-16 | 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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4AJJ
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![BU of 4ajj by Molmil](/molmil-images/mine/4ajj) | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | 分子名称: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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5ECE
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![BU of 5ece by Molmil](/molmil-images/mine/5ece) | Tankyrase 1 with Phthalazinone 1 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | 登録日 | 2015-10-20 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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1UUG
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![BU of 1uug by Molmil](/molmil-images/mine/1uug) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH WILD-TYPE UDG AND WILD-TYPE UGI | 分子名称: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | 著者 | Mol, C.D, Arvai, A.S, Putnam, C.D, Tainer, J.A. | 登録日 | 1998-10-31 | 公開日 | 1999-03-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase J.Mol.Biol., 287, 1999
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5DWE
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![BU of 5dwe by Molmil](/molmil-images/mine/5dwe) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Chloro-substituted Triaryl-imine analog 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol | 分子名称: | 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Wright, N.J, 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 | 2015-09-22 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.92 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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5DXK
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![BU of 5dxk by Molmil](/molmil-images/mine/5dxk) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol | 分子名称: | 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]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 | 2015-09-23 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.226 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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5DY8
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![BU of 5dy8 by Molmil](/molmil-images/mine/5dy8) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol | 分子名称: | 4,4'-{[(3S)-3-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 | 2015-09-24 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.031 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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4AKL
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![BU of 4akl by Molmil](/molmil-images/mine/4akl) | Structure of the Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein | 分子名称: | NUCLEOCAPSID, TRIETHYLENE GLYCOL | 著者 | Carter, S.D, Walter, C.T, Surtees, R, Bergeron, E, Ariza, A, Albarino, C.G, Nichol, S.T, Hiscox, J.A, Edwards, T.A, Barr, J.N. | 登録日 | 2012-02-24 | 公開日 | 2012-08-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure, Function, and Evolution of the Crimean-Congo Hemorrhagic Fever Virus Nucleocapsid Protein. J.Virol., 86, 2012
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5DZH
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![BU of 5dzh by Molmil](/molmil-images/mine/5dzh) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | 分子名称: | 4,4'-{[4-(2-hydroxyethyl)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 (2.11 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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4A0D
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![BU of 4a0d by Molmil](/molmil-images/mine/4a0d) | Structure of unliganded human PARG catalytic domain | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ... | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2011-09-08 | 公開日 | 2012-10-17 | 最終更新日 | 2013-01-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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5E7O
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![BU of 5e7o by Molmil](/molmil-images/mine/5e7o) | Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira suillum PS | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO reductase family type II enzyme, ... | 著者 | Tsai, C.-L, Tainer, J.A. | 登録日 | 2015-10-12 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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4AN8
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![BU of 4an8 by Molmil](/molmil-images/mine/4an8) | |
5DWG
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![BU of 5dwg by Molmil](/molmil-images/mine/5dwg) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol | 分子名称: | 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Wright, N.J, 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 | 2015-09-22 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 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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5DWP
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![BU of 5dwp by Molmil](/molmil-images/mine/5dwp) | Crystal Structure of human transthyretin (TTR) processed with the CrystalDirect automated mounting and cryo-cooling technology | 分子名称: | Transthyretin | 著者 | Zander, U, Cornaciu, I, Forsyth, T, Yee, A, Marquez, J.A. | 登録日 | 2015-09-22 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Automated harvesting and processing of protein crystals through laser photoablation. Acta Crystallogr D Struct Biol, 72, 2016
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3EN5
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![BU of 3en5 by Molmil](/molmil-images/mine/3en5) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor | 分子名称: | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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1UZZ
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![BU of 1uzz by Molmil](/molmil-images/mine/1uzz) | Erythrina cristagalli bound to N-linked oligosaccharide and lactose | 分子名称: | CALCIUM ION, GLYCEROL, Lectin, ... | 著者 | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | 登録日 | 2004-03-20 | 公開日 | 2004-06-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology, 14, 2004
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3V1P
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![BU of 3v1p by Molmil](/molmil-images/mine/3v1p) | Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION | 著者 | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | 登録日 | 2011-12-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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5E15
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![BU of 5e15 by Molmil](/molmil-images/mine/5e15) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | 分子名称: | 4,4'-({4-[2-(4-fluorobutoxy)ethyl]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 | 2015-09-29 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 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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5DKD
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![BU of 5dkd by Molmil](/molmil-images/mine/5dkd) | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | 分子名称: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | 著者 | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | 登録日 | 2015-09-03 | 公開日 | 2015-10-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe To Be Published
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3F9M
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![BU of 3f9m by Molmil](/molmil-images/mine/3f9m) | Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap | 分子名称: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, alpha-D-glucopyranose | 著者 | Petit, P, Gluais, L, Lagarde, A, Vuillard, L, Boutin, J.A, Ferry, G. | 登録日 | 2008-11-14 | 公開日 | 2008-12-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
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5BQM
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![BU of 5bqm by Molmil](/molmil-images/mine/5bqm) | Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor | 分子名称: | Botulinum neurotoxin type D, Somatoliberin,Botulinum neurotoxin type D, ZINC ION | 著者 | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | 登録日 | 2015-05-29 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors. Sci Rep, 5, 2015
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3V3W
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![BU of 3v3w by Molmil](/molmil-images/mine/3v3w) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2011-12-14 | 公開日 | 2012-01-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol to be published
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3V4B
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![BU of 3v4b by Molmil](/molmil-images/mine/3v4b) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate | 分子名称: | CHLORIDE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2011-12-14 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate to be published
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1VC6
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![BU of 1vc6 by Molmil](/molmil-images/mine/1vc6) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Product with C75U Mutaion, cleaved in Imidazole and Mg2+ solutions | 分子名称: | Hepatitis Delta virus ribozyme, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A | 著者 | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | 登録日 | 2004-03-04 | 公開日 | 2004-05-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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5BT3
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![BU of 5bt3 by Molmil](/molmil-images/mine/5bt3) | Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe | 分子名称: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL | 著者 | Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-06-02 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand To Be Published
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