5OP2
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![BU of 5op2 by Molmil](/molmil-images/mine/5op2) | Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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3MS5
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![BU of 3ms5 by Molmil](/molmil-images/mine/3ms5) | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | 分子名称: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | 著者 | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-29 | 公開日 | 2010-05-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase. Chem. Biol., 17, 2010
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5OPB
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![BU of 5opb by Molmil](/molmil-images/mine/5opb) | Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor | 分子名称: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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4XJQ
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![BU of 4xjq by Molmil](/molmil-images/mine/4xjq) | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | 登録日 | 2015-01-08 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed. Angew.Chem.Int.Ed.Engl., 54, 2015
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5OQ8
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![BU of 5oq8 by Molmil](/molmil-images/mine/5oq8) | Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor | 分子名称: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-10 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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4XK2
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![BU of 4xk2 by Molmil](/molmil-images/mine/4xk2) | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 | 分子名称: | Aldo/keto reductase, CHLORIDE ION, SODIUM ION | 著者 | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2015-01-09 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 to be published
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6EX7
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![BU of 6ex7 by Molmil](/molmil-images/mine/6ex7) | Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | 著者 | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | 登録日 | 2017-11-07 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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2R45
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![BU of 2r45 by Molmil](/molmil-images/mine/2r45) | Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phospho-d-glyceric acid | 分子名称: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, Aerobic glycerol-3-phosphate dehydrogenase, ... | 著者 | Yeh, J.I, Du, S, Chinte, U. | 登録日 | 2007-08-30 | 公開日 | 2008-04-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of glycerol-3-phosphate dehydrogenase, an essential
monotopic membrane enzyme involved in respiration and metabolism Proc.Natl.Acad.Sci.USA, 105, 2008
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5TPQ
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![BU of 5tpq by Molmil](/molmil-images/mine/5tpq) | E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant | 分子名称: | Alkaline phosphatase, PHOSPHATE ION, ZINC ION | 著者 | Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D. | 登録日 | 2016-10-20 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution. J. Biol. Chem., 292, 2017
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5T1A
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![BU of 5t1a by Molmil](/molmil-images/mine/5t1a) | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | 著者 | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | 登録日 | 2016-08-18 | 公開日 | 2016-12-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | 主引用文献 | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature, 540, 2016
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5T2G
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![BU of 5t2g by Molmil](/molmil-images/mine/5t2g) | mPI3Kd IN COMPLEX WITH 7i | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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1IDP
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![BU of 1idp by Molmil](/molmil-images/mine/1idp) | |
5TRD
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![BU of 5trd by Molmil](/molmil-images/mine/5trd) | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*TP*AP*CP*TP*AP*AP*TP*TP*CP*AP*CP*GP*AP*GP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*AP*CP*TP*CP*GP*TP*GP*AP*AP*TP*TP*AP*GP*TP*AP*A)-3'), ... | 著者 | Vetting, M.W, Rodionova, I.A, Li, X, Osterman, A.L, Rodionov, D.A, Almo, S.C. | 登録日 | 2016-10-26 | 公開日 | 2016-11-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator To be published
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6F9M
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![BU of 6f9m by Molmil](/molmil-images/mine/6f9m) | The LIPY/F-motif in an intracellular subtilisin protease is involved in inhibition | 分子名称: | ACETATE ION, SODIUM ION, Serine protease, ... | 著者 | Bjerga, G.E.K, Larsen, O, Arsin, H, Williamson, A.K, Garcia-Moyano, A, Leiros, I, Puntervoll, P. | 登録日 | 2017-12-14 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.298 Å) | 主引用文献 | Mutational analysis of the pro-peptide of a marine intracellular subtilisin protease supports its role in inhibition. Proteins, 86, 2018
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1FAF
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![BU of 1faf by Molmil](/molmil-images/mine/1faf) | NMR STRUCTURE OF THE N-TERMINAL J DOMAIN OF MURINE POLYOMAVIRUS T ANTIGENS. | 分子名称: | LARGE T ANTIGEN | 著者 | Berjanskii, M.V, Riley, M.I, Xie, A, Semenchenko, V, Folk, W.R, Van Doren, S.R. | 登録日 | 2000-07-13 | 公開日 | 2000-11-22 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the N-terminal J domain of murine polyomavirus T antigens. Implications for DnaJ-like domains and for mutations of T antigens. J.Biol.Chem., 275, 2000
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5AIX
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![BU of 5aix by Molmil](/molmil-images/mine/5aix) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-18 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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6ESY
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![BU of 6esy by Molmil](/molmil-images/mine/6esy) | Human butyrylcholinesterase in complex with thioflavine T | 分子名称: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | 登録日 | 2017-10-24 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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5AIV
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![BU of 5aiv by Molmil](/molmil-images/mine/5aiv) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-17 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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6EUA
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![BU of 6eua by Molmil](/molmil-images/mine/6eua) | The fibrinogen-like domain of human Angptl3 | 分子名称: | Angiopoietin-related protein 3 | 著者 | Biterova, E.I, Esmaeeli, M.E, Alanen, H.I, Saaranen, M, Ruddock, L.W. | 登録日 | 2017-10-30 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | 主引用文献 | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease. Sci Rep, 8, 2018
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1ISZ
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![BU of 1isz by Molmil](/molmil-images/mine/1isz) | Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with galactose | 分子名称: | beta-D-galactopyranose, endo-1,4-beta-D-xylanase | 著者 | Fujimoto, Z, Kuno, A, Kaneko, S, Kobayashi, H, Kusakabe, I, Mizuno, H. | 登録日 | 2001-12-27 | 公開日 | 2002-02-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of the sugar complexes of Streptomyces olivaceoviridis E-86 xylanase: sugar binding structure of the family 13 carbohydrate binding module. J.Mol.Biol., 316, 2002
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1J05
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![BU of 1j05 by Molmil](/molmil-images/mine/1j05) | The crystal structure of anti-carcinoembryonic antigen monoclonal antibody T84.66 Fv fragment | 分子名称: | GLYCEROL, PHOSPHATE ION, anti-CEA mAb T84.66, ... | 著者 | Kondo, H, Nishimura, Y, Shiroishi, M, Asano, R, Noro, N, Tsumoto, K, Kumagai, I. | 登録日 | 2002-11-01 | 公開日 | 2003-12-16 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The crystal structure of anti-carcinoembryonic antigen monoclonal antibody T84.66 Fv fragment To be Published
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1J6Y
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![BU of 1j6y by Molmil](/molmil-images/mine/1j6y) | Solution structure of Pin1At from Arabidopsis thaliana | 分子名称: | peptidyl-prolyl cis-trans isomerase | 著者 | Landrieu, I, Wieruszeski, J.M, Wintjens, R, Inze, D, Lippens, G. | 登録日 | 2001-05-15 | 公開日 | 2002-08-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the
Single-domain Prolyl Cis/Trans
Isomerase PIN1At from Arabidopsis thaliana J.Mol.Biol., 320, 2002
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5WEO
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![BU of 5weo by Molmil](/molmil-images/mine/5weo) | Activated GluA2 complex bound to glutamate, cyclothiazide, and STZ in digitonin | 分子名称: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit chimera | 著者 | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | 登録日 | 2017-07-10 | 公開日 | 2017-08-02 | 最終更新日 | 2019-11-20 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Channel opening and gating mechanism in AMPA-subtype glutamate receptors. Nature, 549, 2017
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2WKN
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![BU of 2wkn by Molmil](/molmil-images/mine/2wkn) | gamma lactamase from Delftia acidovorans | 分子名称: | FORMAMIDASE, ZINC ION | 著者 | Isupov, M.N, Line, K, Gonsalvez, I.S, Gange-Harris, P, Lanzotti, M, Saneei, V, Littlechild, J.A. | 登録日 | 2009-06-16 | 公開日 | 2010-09-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | The Structure of Gamma Lactamase from Delftia Acidovorans To be Published
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3MTU
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![BU of 3mtu by Molmil](/molmil-images/mine/3mtu) | Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Capsid assembly scaffolding protein,Tropomyosin alpha-1 chain, ... | 著者 | Klenchin, V.A, Frye, J, Rayment, I. | 登録日 | 2010-04-30 | 公開日 | 2010-06-23 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the tropomyosin overlap complex from chicken smooth muscle: insight into the diversity of N-terminal recognition . Biochemistry, 49, 2010
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