2X78
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![BU of 2x78 by Molmil](/molmil-images/mine/2x78) | Human foamy virus integrase - catalytic core. | 分子名称: | INTEGRASE | 著者 | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | 登録日 | 2010-02-24 | 公開日 | 2010-08-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase Acta Crystallogr.,Sect.F, 66, 2010
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3DYP
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![BU of 3dyp by Molmil](/molmil-images/mine/3dyp) | E. coli (lacZ) beta-galactosidase (H418N) | 分子名称: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Juers, D.H, Huber, R.E, Matthews, B.W. | 登録日 | 2008-07-28 | 公開日 | 2008-10-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli). Protein Sci., 18, 2009
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2X52
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![BU of 2x52 by Molmil](/molmil-images/mine/2x52) | CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN COMPLEX WITH A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND | 分子名称: | AGGLUTININ ISOLECTIN 3, BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE, GLYCEROL | 著者 | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | 登録日 | 2010-02-05 | 公開日 | 2010-02-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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5FZP
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![BU of 5fzp by Molmil](/molmil-images/mine/5fzp) | Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis | 分子名称: | CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL | 著者 | Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A. | 登録日 | 2016-03-15 | 公開日 | 2016-08-10 | 最終更新日 | 2016-10-05 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase J.Biol.Chem., 291, 2016
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5AHS
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![BU of 5ahs by Molmil](/molmil-images/mine/5ahs) | 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | 分子名称: | ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | 登録日 | 2015-02-06 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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7JWY
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![BU of 7jwy by Molmil](/molmil-images/mine/7jwy) | Structure of SARS-CoV-2 spike at pH 4.5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Kwong, P.D. | 登録日 | 2020-08-26 | 公開日 | 2020-11-25 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7K0C
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![BU of 7k0c by Molmil](/molmil-images/mine/7k0c) | Structure of Secretory IgM Core | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, Immunoglobulin heavy constant mu, ... | 著者 | Kumar, N, Arthur, C.P, Ciferri, C, Matsumoto, M.L. | 登録日 | 2020-09-04 | 公開日 | 2021-01-20 | 最終更新日 | 2021-06-16 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of the human secretory immunoglobulin M core. Structure, 29, 2021
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7K0R
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![BU of 7k0r by Molmil](/molmil-images/mine/7k0r) | Nucleotide bound SARS-CoV-2 Nsp15 | 分子名称: | PHOSPHATE ION, URIDINE-5'-MONOPHOSPHATE, Uridylate-specific endoribonuclease | 著者 | Pillon, M.C, Stanley, R.E. | 登録日 | 2020-09-04 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-EM structures of the SARS-CoV-2 endoribonuclease Nsp15 reveal insight into nuclease specificity and dynamics. Nat Commun, 12, 2021
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4ZT5
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![BU of 4zt5 by Molmil](/molmil-images/mine/4zt5) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655) | 分子名称: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.-Y, Hol, W.G.J. | 登録日 | 2015-05-14 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors. Acs Infect Dis., 2, 2016
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2YMA
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![BU of 2yma by Molmil](/molmil-images/mine/2yma) | X-ray structure of the Yos9 dimerization domain | 分子名称: | PROTEIN OS-9 HOMOLOG | 著者 | Hanna, J, Schuetz, A, Zimmermann, F, Behlke, J, Sommer, T, Heinemann, U. | 登録日 | 2011-06-07 | 公開日 | 2012-01-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | 主引用文献 | Structural and Biochemical Basis of Yos9 Protein Dimerization and Possible Contribution to Self-Association of 3-Hydroxy-3-Methylglutaryl-Coenzyme a Reductase Degradation Ubiquitin-Ligase Complex. J.Biol.Chem., 287, 2012
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2X2Z
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![BU of 2x2z by Molmil](/molmil-images/mine/2x2z) | Crystal structure AMA1 from Toxoplasma gondii | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN 1, PUTATIVE, ... | 著者 | Crawford, J, Tonkin, M.L, Grujic, O, Boulanger, M.J. | 登録日 | 2010-01-18 | 公開日 | 2010-03-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Characterization of Apical Membrane Antigen 1 (Ama1) from Toxoplasma Gondii. J.Biol.Chem., 285, 2010
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5FZ4
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![BU of 5fz4 by Molmil](/molmil-images/mine/5fz4) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | 分子名称: | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-10 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A To be Published
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5AKC
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![BU of 5akc by Molmil](/molmil-images/mine/5akc) | MutS in complex with the N-terminal domain of MutL - crystal form 2 | 分子名称: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | 登録日 | 2015-03-03 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (6.6 Å) | 主引用文献 | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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1PCN
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![BU of 1pcn by Molmil](/molmil-images/mine/1pcn) | SOLUTION STRUCTURE OF PORCINE PANCREATIC PROCOLIPASE AS DETERMINED FROM 1H HOMONUCLEAR TWO-AND THREE-DIMENSIONAL NMR | 分子名称: | HYDROXIDE ION, PORCINE PANCREATIC PROCOLIPASE B | 著者 | Breg, J.N, Sarda, L, Cozzone, P.J, Rugani, N, Boelens, R, Kaptein, R. | 登録日 | 1994-06-08 | 公開日 | 1994-12-20 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of porcine pancreatic procolipase as determined from 1H homonuclear two-dimensional and three-dimensional NMR. Eur.J.Biochem., 227, 1995
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5FZC
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![BU of 5fzc by Molmil](/molmil-images/mine/5fzc) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-14 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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5A7N
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![BU of 5a7n by Molmil](/molmil-images/mine/5a7n) | Crystal structure of human JMJD2A in complex with compound 43 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5FZL
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![BU of 5fzl by Molmil](/molmil-images/mine/5fzl) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-14 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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5AI5
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![BU of 5ai5 by Molmil](/molmil-images/mine/5ai5) | ligand complex structure of soluble epoxide hydrolase | 分子名称: | 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | 登録日 | 2015-02-12 | 公開日 | 2015-05-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1PGE
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![BU of 1pge by Molmil](/molmil-images/mine/1pge) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | 著者 | Loll, P.J, Picot, D, Garavito, R.M. | 登録日 | 1995-12-02 | 公開日 | 1997-01-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
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3DBV
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![BU of 3dbv by Molmil](/molmil-images/mine/3dbv) | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NAD+ | 分子名称: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | 著者 | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | 登録日 | 1997-01-06 | 公開日 | 1997-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+. J.Mol.Biol., 268, 1997
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7QFM
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![BU of 7qfm by Molmil](/molmil-images/mine/7qfm) | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | 分子名称: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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4MUF
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![BU of 4muf by Molmil](/molmil-images/mine/4muf) | |
5FMK
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![BU of 5fmk by Molmil](/molmil-images/mine/5fmk) | Bcl-xL with Bak BH3 complex | 分子名称: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | 著者 | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | 登録日 | 2015-11-06 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.731 Å) | 主引用文献 | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
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5A2S
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![BU of 5a2s by Molmil](/molmil-images/mine/5a2s) | Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors | 分子名称: | (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | 著者 | Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. | 登録日 | 2015-05-22 | 公開日 | 2016-02-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
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3DAA
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![BU of 3daa by Molmil](/molmil-images/mine/3daa) | |