2VTN
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![BU of 2vtn by Molmil](/molmil-images/mine/2vtn) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | 分子名称: | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W17
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![BU of 2w17 by Molmil](/molmil-images/mine/2w17) | CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | 分子名称: | ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | 著者 | Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E. | 登録日 | 2008-10-15 | 公開日 | 2008-11-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem.Lett., 18, 2008
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2VTS
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![BU of 2vts by Molmil](/molmil-images/mine/2vts) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | 分子名称: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2 | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTQ
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![BU of 2vtq by Molmil](/molmil-images/mine/2vtq) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | 分子名称: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTI
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![BU of 2vti by Molmil](/molmil-images/mine/2vti) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W1D
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![BU of 2w1d by Molmil](/molmil-images/mine/2w1d) | Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | 著者 | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | 登録日 | 2008-10-17 | 公開日 | 2009-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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1I6P
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![BU of 1i6p by Molmil](/molmil-images/mine/1i6p) | CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | 分子名称: | CARBONIC ANHYDRASE, ZINC ION | 著者 | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | 登録日 | 2001-03-02 | 公開日 | 2001-05-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity. Protein Sci., 10, 2001
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2WWG
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![BU of 2wwg by Molmil](/molmil-images/mine/2wwg) | Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | 分子名称: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | 登録日 | 2009-10-23 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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1MNG
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![BU of 1mng by Molmil](/molmil-images/mine/1mng) | STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | 分子名称: | AZIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | 著者 | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | 登録日 | 1994-07-13 | 公開日 | 1994-10-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus. Biochemistry, 34, 1995
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2LFW
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![BU of 2lfw by Molmil](/molmil-images/mine/2lfw) | NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1 | 分子名称: | NepR anti sigma factor, PhyR sigma-like domain | 著者 | Campagne, S, Damberger, F.F, Vorholt, J.A, Allain, F.H.-T. | 登録日 | 2011-07-18 | 公開日 | 2012-04-25 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for sigma factor mimicry in the general stress response of Alphaproteobacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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2XM3
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![BU of 2xm3 by Molmil](/molmil-images/mine/2xm3) | Deinococcus radiodurans ISDra2 Transposase Left end DNA complex | 分子名称: | 5'-D(*TP*TP*AP*GP*T)-3', ACETATE ION, DRA2 TRANSPOSASE BINDING ELEMENT, ... | 著者 | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | 登録日 | 2010-07-22 | 公開日 | 2010-10-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans. Embo J., 29, 2010
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2LSA
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![BU of 2lsa by Molmil](/molmil-images/mine/2lsa) | Magainin | 分子名称: | Magainin-2 | 著者 | Vermeer, L.S, Mason, J.A. | 登録日 | 2012-04-24 | 公開日 | 2013-04-03 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | All Atom Simulations of the Initial Binding of Magainin and Pleurocidin to Membranes Comprising a Mixture of Anionic and Zwitterionic Lipids To be Published
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6SHV
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![BU of 6shv by Molmil](/molmil-images/mine/6shv) | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | 分子名称: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | 登録日 | 2019-08-08 | 公開日 | 2020-08-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.808 Å) | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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2XLL
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![BU of 2xll by Molmil](/molmil-images/mine/2xll) | The crystal structure of bilirubin oxidase from Myrothecium verrucaria | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION | 著者 | McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F. | 登録日 | 2010-07-21 | 公開日 | 2011-04-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.305 Å) | 主引用文献 | Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction. Dalton Trans, 40, 2011
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2XHL
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![BU of 2xhl by Molmil](/molmil-images/mine/2xhl) | Structure of a functional derivative of Clostridium botulinum neurotoxin type B | 分子名称: | BOTULINUM NEUROTOXIN B HEAVY CHAIN, BOTULINUM NEUROTOXIN B LIGHT CHAIN, ZINC ION | 著者 | Masuyer, G, Beard, M, Cadd, V.A, Chaddock, J.A, Acharya, K.R. | 登録日 | 2010-06-18 | 公開日 | 2010-12-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure and Activity of a Functional Derivative of Clostridium Botulinum Neurotoxin B. J.Struct.Biol., 174, 2011
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2XID
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![BU of 2xid by Molmil](/molmil-images/mine/2xid) | Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS) | 分子名称: | ANCILLARY PROTEIN 1 | 著者 | Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J. | 登録日 | 2010-06-28 | 公開日 | 2010-08-04 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | A Highly Unusual Thioester Bond in a Pilus Adhesin Required for Efficient Host Cell Interaction J.Biol.Chem., 285, 2010
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2WKF
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![BU of 2wkf by Molmil](/molmil-images/mine/2wkf) | Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium falciparum | 分子名称: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | 著者 | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | 登録日 | 2009-06-11 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The crystal structures of macrophage migration inhibitory factor from Plasmodium falciparum and Plasmodium berghei. Protein Sci., 18, 2009
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1WWJ
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![BU of 1wwj by Molmil](/molmil-images/mine/1wwj) | crystal structure of KaiB from Synechocystis sp. | 分子名称: | Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ... | 著者 | Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | 登録日 | 2005-01-06 | 公開日 | 2005-02-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm. J.Biol.Chem., 280, 2005
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2WW5
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![BU of 2ww5 by Molmil](/molmil-images/mine/2ww5) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution | 分子名称: | 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ... | 著者 | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M. | 登録日 | 2009-10-21 | 公開日 | 2010-04-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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2FD3
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![BU of 2fd3 by Molmil](/molmil-images/mine/2fd3) | |
2WK8
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![BU of 2wk8 by Molmil](/molmil-images/mine/2wk8) | Structure of holo form of Vibrio cholerae CqsA | 分子名称: | CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | 著者 | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | 登録日 | 2009-06-08 | 公開日 | 2009-07-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa. J.Mol.Biol., 392, 2009
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2X5N
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![BU of 2x5n by Molmil](/molmil-images/mine/2x5n) | Crystal Structure of the SpRpn10 VWA domain | 分子名称: | 26S PROTEASOME REGULATORY SUBUNIT RPN10, SULFATE ION | 著者 | Riedinger, C, Boehringer, J, Trempe, J.-F, Lowe, E.D, Brown, N.R, Gehring, K, Noble, M.E.M, Gordon, C, Endicott, J.A. | 登録日 | 2010-02-10 | 公開日 | 2010-08-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Structure of Rpn10 and its Interactions with Polyubiquitin Chains and the Proteasome Subunit Rpn12. J.Biol.Chem., 285, 2010
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2MNF
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![BU of 2mnf by Molmil](/molmil-images/mine/2mnf) | AIK-18/51 DNA recognition sequence d(CGACTAGTCG)2 | 分子名称: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | 著者 | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | 登録日 | 2014-04-03 | 公開日 | 2014-07-30 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
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1H2B
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![BU of 1h2b by Molmil](/molmil-images/mine/1h2b) | Crystal Structure of the Alcohol Dehydrogenase from the Hyperthermophilic Archaeon Aeropyrum pernix at 1.65A Resolution | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), OCTANOIC ACID (CAPRYLIC ACID), ... | 著者 | Guy, J.E, Isupov, M.N, Littlechild, J.A. | 登録日 | 2002-08-02 | 公開日 | 2003-08-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | The structure of an alcohol dehydrogenase from the hyperthermophilic archaeon Aeropyrum pernix. J.Mol.Biol., 331, 2003
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2FLA
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![BU of 2fla by Molmil](/molmil-images/mine/2fla) | Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | 分子名称: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | 著者 | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | 登録日 | 2006-01-05 | 公開日 | 2006-12-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study. To be Published
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