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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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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