6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/6gqm) | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | 分子名称: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 著者 | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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3GG2
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![BU of 3gg2 by Molmil](/molmil-images/mine/3gg2) | Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate | 分子名称: | Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | 著者 | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-02-27 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate To be Published
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3EEQ
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![BU of 3eeq by Molmil](/molmil-images/mine/3eeq) | Crystal structure of a putative cobalamin biosynthesis protein G homolog from Sulfolobus solfataricus | 分子名称: | SULFATE ION, putative Cobalamin biosynthesis protein G homolog | 著者 | Bonanno, J.B, Gilmore, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2008-09-05 | 公開日 | 2008-09-30 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of a putative cobalamin biosynthesis protein G homolog from Sulfolobus solfataricus To be Published
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3GHF
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![BU of 3ghf by Molmil](/molmil-images/mine/3ghf) | Crystal structure of the septum site-determining protein minC from Salmonella typhimurium | 分子名称: | CITRIC ACID, Septum site-determining protein minC | 著者 | Bonanno, J.B, Gilmore, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-03-03 | 公開日 | 2009-03-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the septum site-determining protein minC from Salmonella typhimurium To be Published
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3GO2
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![BU of 3go2 by Molmil](/molmil-images/mine/3go2) | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium | 分子名称: | MAGNESIUM ION, Putative L-alanine-DL-glutamate epimerase | 著者 | Bonanno, J.B, Dickey, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-03-18 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium. To be Published
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3C8T
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![BU of 3c8t by Molmil](/molmil-images/mine/3c8t) | Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1 | 分子名称: | Fumarate lyase | 著者 | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2008-02-13 | 公開日 | 2008-03-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1. To be Published
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3C97
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![BU of 3c97 by Molmil](/molmil-images/mine/3c97) | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae | 分子名称: | Signal transduction histidine kinase | 著者 | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2008-02-15 | 公開日 | 2008-03-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae. To be Published
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8R0S
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![BU of 8r0s by Molmil](/molmil-images/mine/8r0s) | Structure of reverse transcriptase from Cauliflower Mosaic Virus in complex with RNA/DNA hybrid | 分子名称: | DNA (5'-D(*GP*CP*TP*AP*CP*GP*CP*AP*CP*TP*GP*CP*TP*GP*GP*A)-3'), Enzymatic polyprotein, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*AP*GP*UP*GP*CP*GP*UP*AP*GP*C)-3') | 著者 | Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M. | 登録日 | 2023-10-31 | 公開日 | 2024-07-24 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and biochemical characterization of cauliflower mosaic virus reverse transcriptase. J.Biol.Chem., 300, 2024
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6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | 分子名称: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | 登録日 | 2019-05-22 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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5DMH
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![BU of 5dmh by Molmil](/molmil-images/mine/5dmh) | Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein conserved in bacteria | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-09-08 | 公開日 | 2015-10-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. To be published
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5DM3
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![BU of 5dm3 by Molmil](/molmil-images/mine/5dm3) | Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, L-glutamine synthetase | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-09-07 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP To be published
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6RSR
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![BU of 6rsr by Molmil](/molmil-images/mine/6rsr) | TBK1 in complex with compound 2 | 分子名称: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | 登録日 | 2019-05-22 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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5DTE
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![BU of 5dte by Molmil](/molmil-images/mine/5dte) | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose | 分子名称: | Monosaccharide-transporting ATPase, beta-D-allopyranose | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-09-18 | 公開日 | 2015-10-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose To be published
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6RST
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![BU of 6rst by Molmil](/molmil-images/mine/6rst) | TBK1 in complex with inhibitor compound 24 | 分子名称: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | 登録日 | 2019-05-22 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6EJ5
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![BU of 6ej5 by Molmil](/molmil-images/mine/6ej5) | |
7E4J
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![BU of 7e4j by Molmil](/molmil-images/mine/7e4j) | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41. | 分子名称: | Antitoxin, ZINC ION | 著者 | Pratap, S, Megta, A.K, Talwar, S, Chandresh, S, Pandey, A.K, Krishnan, V. | 登録日 | 2021-02-13 | 公開日 | 2022-02-16 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41. To be published
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5EK9
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![BU of 5ek9 by Molmil](/molmil-images/mine/5ek9) | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | 分子名称: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | 著者 | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-03 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
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7FDS
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![BU of 7fds by Molmil](/molmil-images/mine/7fds) | High resolution crystal structure of LpqH from Mycobacterium tuberculosis | 分子名称: | Lipoprotein LpqH | 著者 | Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A. | 登録日 | 2021-07-17 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.258 Å) | 主引用文献 | High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface. Int.J.Biol.Macromol., 210, 2022
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3CRN
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![BU of 3crn by Molmil](/molmil-images/mine/3crn) | Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1 | 分子名称: | GLYCEROL, Response regulator receiver domain protein, CheY-like, ... | 著者 | Hiner, R.L, Toro, R, Patskovsky, Y, Freeman, J, Chang, S, Smith, D, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2008-04-07 | 公開日 | 2008-04-22 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1. To be Published
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5WDK
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![BU of 5wdk by Molmil](/molmil-images/mine/5wdk) | A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | 分子名称: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION | 著者 | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | 登録日 | 2017-07-05 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro. Acs Chem.Biol., 13, 2018
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5VOC
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![BU of 5voc by Molmil](/molmil-images/mine/5voc) | |
6MWY
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![BU of 6mwy by Molmil](/molmil-images/mine/6mwy) | The Prp8 intein of Cryptococcus gattii | 分子名称: | Pre-mRNA-processing-splicing factor 8 | 著者 | Li, Z, Fu, B, Green, C.M, Lang, Y, Zhang, J, Oven, T.S, Li, X, Callahan, B.P, Chaturvedi, S, Belfort, M, Liao, G, Li, H. | 登録日 | 2018-10-30 | 公開日 | 2019-11-06 | 最終更新日 | 2020-05-20 | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | 主引用文献 | Cisplatin protects mice from challenge ofCryptococcus neoformansby targeting the Prp8 intein. Emerg Microbes Infect, 8, 2019
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4P52
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![BU of 4p52 by Molmil](/molmil-images/mine/4p52) | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. | 分子名称: | Homoserine kinase | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-03-13 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. to be published
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3CZ8
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![BU of 3cz8 by Molmil](/molmil-images/mine/3cz8) | Crystal structure of putative sporulation-specific glycosylase ydhD from Bacillus subtilis | 分子名称: | GLYCEROL, Putative sporulation-specific glycosylase ydhD | 著者 | Patskovsky, Y, Romero, R, Rutter, M, Chang, S, Maletic, M, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2008-04-28 | 公開日 | 2008-05-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of putative glycosylase ydhD from Bacillus subtilis. To be Published
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7FGX
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![BU of 7fgx by Molmil](/molmil-images/mine/7fgx) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | 登録日 | 2021-07-28 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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