6FT7
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![BU of 6ft7 by Molmil](/molmil-images/mine/6ft7) | Crystal structure of CLK3 in complex with compound 8a | 分子名称: | 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-20 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype. PLoS ONE, 13, 2018
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3E1H
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6FUH
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![BU of 6fuh by Molmil](/molmil-images/mine/6fuh) | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | 分子名称: | (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D | 著者 | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | 登録日 | 2018-02-27 | 公開日 | 2018-06-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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3E1Z
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![BU of 3e1z by Molmil](/molmil-images/mine/3e1z) | Crystal structure of the parasite protesase inhibitor chagasin in complex with papain | 分子名称: | ACETIC ACID, Chagasin, FORMIC ACID, ... | 著者 | Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M. | 登録日 | 2008-08-05 | 公開日 | 2009-01-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases. Febs J., 276, 2009
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1YQB
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![BU of 1yqb by Molmil](/molmil-images/mine/1yqb) | Human Ubiquilin 3 | 分子名称: | Ubiquilin 3 | 著者 | Walker, J.R, Xue, S, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-02-01 | 公開日 | 2005-02-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Ubiquitin-like domain of Human Ubiquilin 3 To be Published
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6FLY
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![BU of 6fly by Molmil](/molmil-images/mine/6fly) | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose. | 分子名称: | Jacalin-like lectin, alpha-D-mannopyranose | 著者 | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | 登録日 | 2018-01-29 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.749 Å) | 主引用文献 | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem. Sci Rep, 8, 2018
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1YQY
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![BU of 1yqy by Molmil](/molmil-images/mine/1yqy) | Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor | 分子名称: | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION | 著者 | Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A. | 登録日 | 2005-02-02 | 公開日 | 2005-05-31 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Anthrax lethal factor inhibition. Proc.Natl.Acad.Sci.Usa, 102, 2005
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4N7I
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6G7L
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![BU of 6g7l by Molmil](/molmil-images/mine/6g7l) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms state structure | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | 著者 | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | 登録日 | 2018-04-06 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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1YNH
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![BU of 1ynh by Molmil](/molmil-images/mine/1ynh) | Crystal Structure of N-Succinylarginine Dihydrolase, AstB, bound to Substrate and Product, an Enzyme from the Arginine Catabolic Pathway of Escherichia coli | 分子名称: | N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE, POTASSIUM ION, Succinylarginine Dihydrolase | 著者 | Tocilj, A, Schrag, J.D, Li, Y, Schneider, B.L, Reitzer, L, Matte, A, Cygler, M. | 登録日 | 2005-01-24 | 公開日 | 2005-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of N-succinylarginine dihydrolase AstB, bound to substrate and product, an enzyme from the arginine catabolic pathway of Escherichia coli. J.Biol.Chem., 280, 2005
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6NET
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![BU of 6net by Molmil](/molmil-images/mine/6net) | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | 分子名称: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | 著者 | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | 登録日 | 2018-12-18 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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4J80
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![BU of 4j80 by Molmil](/molmil-images/mine/4j80) | Thermus thermophilus DnaJ | 分子名称: | Chaperone protein DnaJ 2 | 著者 | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | 登録日 | 2013-02-14 | 公開日 | 2013-07-31 | 最終更新日 | 2013-10-09 | 実験手法 | EPR (2.9 Å), X-RAY DIFFRACTION | 主引用文献 | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ. Acta Crystallogr.,Sect.D, 69, 2013
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6NF3
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5NAX
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6NCG
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![BU of 6ncg by Molmil](/molmil-images/mine/6ncg) | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | 分子名称: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | 著者 | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-11 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor To Be Published
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4NN9
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![BU of 4nn9 by Molmil](/molmil-images/mine/4nn9) | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | 著者 | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | 登録日 | 1991-03-28 | 公開日 | 1992-07-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. J.Mol.Biol., 221, 1991
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1I7D
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![BU of 1i7d by Molmil](/molmil-images/mine/1i7d) | NONCOVALENT COMPLEX OF E.COLI DNA TOPOISOMERASE III WITH AN 8-BASE SINGLE-STRANDED DNA OLIGONUCLEOTIDE | 分子名称: | 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA TOPOISOMERASE III, ... | 著者 | Changela, A, DiGate, R.J, Mondragon, A. | 登録日 | 2001-03-08 | 公開日 | 2001-06-29 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of a complex of a type IA DNA topoisomerase with a single-stranded DNA molecule. Nature, 411, 2001
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5N50
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6GA3
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![BU of 6ga3 by Molmil](/molmil-images/mine/6ga3) | Bacteriorhodopsin, 33 ms state, ensemble refinement | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6HFD
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6GAC
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![BU of 6gac by Molmil](/molmil-images/mine/6gac) | BACTERIORHODOPSIN, 490 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | 分子名称: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | 著者 | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2019-07-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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2X39
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![BU of 2x39 by Molmil](/molmil-images/mine/2x39) | Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | 分子名称: | 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | 著者 | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | 登録日 | 2010-01-22 | 公開日 | 2010-02-23 | 最終更新日 | 2011-09-21 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
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6NIO
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![BU of 6nio by Molmil](/molmil-images/mine/6nio) | Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ACETIC ACID, FORMIC ACID, ... | 著者 | Kim, Y, Joachimiak, G, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-12-31 | 公開日 | 2019-01-16 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia pestis To Be Published
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6HG7
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![BU of 6hg7 by Molmil](/molmil-images/mine/6hg7) | Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4) | 分子名称: | Collagen alpha-1(II) chain, SULFATE ION | 著者 | Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U. | 登録日 | 2018-08-22 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens. Sci Rep, 8, 2018
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3BFK
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![BU of 3bfk by Molmil](/molmil-images/mine/3bfk) | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP | 分子名称: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11 | 著者 | Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2007-11-21 | 公開日 | 2007-12-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP. To be Published
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