4KYA
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![BU of 4kya by Molmil](/molmil-images/mine/4kya) | Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Sharma, H, Anderson, K.S. | 登録日 | 2013-05-28 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.263 Å) | 主引用文献 | Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections. ACS Med Chem Lett, 4, 2013
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | 分子名称: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | 登録日 | 2019-02-22 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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2VM0
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![BU of 2vm0 by Molmil](/molmil-images/mine/2vm0) | Crystal structure of radiation-induced myoglobin compound II generated after annealing of peroxymyoglobin | 分子名称: | GLYCEROL, HYDROGEN PEROXIDE, HYDROXIDE ION, ... | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | 登録日 | 2008-01-20 | 公開日 | 2008-01-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection. Biochem.J., 412, 2008
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4MFB
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![BU of 4mfb by Molmil](/molmil-images/mine/4mfb) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor | 分子名称: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2013-08-27 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group. J.Am.Chem.Soc., 135, 2013
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2VLY
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![BU of 2vly by Molmil](/molmil-images/mine/2vly) | Crystal structure of myoglobin compound III (radiation-induced) | 分子名称: | GLYCEROL, HYDROGEN PEROXIDE, MYOGLOBIN, ... | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | 登録日 | 2008-01-20 | 公開日 | 2008-01-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection. Biochem.J., 412, 2008
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4KY8
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![BU of 4ky8 by Molmil](/molmil-images/mine/4ky8) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional thymidylate synthase-dihydrofolate reductase, METHOTREXATE, ... | 著者 | Kumar, V.P, Anderson, K.S. | 登録日 | 2013-05-28 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.084 Å) | 主引用文献 | Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4M8D
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![BU of 4m8d by Molmil](/molmil-images/mine/4m8d) | Crystal structure of an isatin hydrolase bound to product analogue thioisatinate | 分子名称: | CALCIUM ION, MANGANESE (II) ION, Putative uncharacterized protein, ... | 著者 | Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P. | 登録日 | 2013-08-13 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A proton wire and water channel revealed in the crystal structure of isatin hydrolase. J.Biol.Chem., 289, 2014
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4LSN
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![BU of 4lsn by Molmil](/molmil-images/mine/4lsn) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor | 分子名称: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... | 著者 | Gray, W.T, Frey, K.M, Anderson, K.S. | 登録日 | 2013-07-22 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
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5C51
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![BU of 5c51 by Molmil](/molmil-images/mine/5c51) | Probing the Structural and Molecular Basis of Nucleotide Selectivity by Human Mitochondrial DNA Polymerase gamma | 分子名称: | DNA, DNA (5'-D(*(AD)P*AP*AP*AP*CP*GP*AP*GP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*GP*TP*AP*C)-3'), DNA polymerase subunit gamma-1, ... | 著者 | Sohl, C.D, Szymanski, M.R, Mislak, A.C, Shumate, C.K, Amiralaei, S, Schinazi, R.F, Anderson, K.S, Whitney, Y.Y. | 登録日 | 2015-06-19 | 公開日 | 2016-05-11 | 最終更新日 | 2016-05-18 | 実験手法 | X-RAY DIFFRACTION (3.426 Å) | 主引用文献 | Probing the structural and molecular basis of nucleotide selectivity by human mitochondrial DNA polymerase gamma. Proc.Natl.Acad.Sci.USA, 112, 2015
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5C52
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![BU of 5c52 by Molmil](/molmil-images/mine/5c52) | Probing the Structural and Molecular Basis of Nucleotide Selectivity by Human Mitochondrial DNA Polymerase gamma | 分子名称: | DNA (26-MER), DNA (5'-D(*AP*AP*AP*AP*CP*GP*AP*GP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*GP*TP*AP*C)-3'), DNA polymerase subunit gamma-1, ... | 著者 | Sohl, C.D, Szymanski, M.R, Mislak, A.C, Shumate, C.K, Amiralaei, S, Schinazi, R.F, Anderson, K.S, Yin, Y.W. | 登録日 | 2015-06-19 | 公開日 | 2016-05-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.637 Å) | 主引用文献 | Probing the structural and molecular basis of nucleotide selectivity by human mitochondrial DNA polymerase gamma. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RW4
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![BU of 4rw4 by Molmil](/molmil-images/mine/4rw4) | Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.674 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
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4RW8
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![BU of 4rw8 by Molmil](/molmil-images/mine/4rw8) | Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor' | 分子名称: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.878 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
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4RW6
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![BU of 4rw6 by Molmil](/molmil-images/mine/4rw6) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
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4RW9
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![BU of 4rw9 by Molmil](/molmil-images/mine/4rw9) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2014-12-01 | 公開日 | 2015-04-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | 主引用文献 | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
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6WPJ
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![BU of 6wpj by Molmil](/molmil-images/mine/6wpj) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T | 分子名称: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA Primer 21-mer, DNA template 27-mer, ... | 著者 | Bertoletti, N, Anderson, K.S. | 登録日 | 2020-04-27 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance. Molecules, 25, 2020
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6P2G
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![BU of 6p2g by Molmil](/molmil-images/mine/6p2g) | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and D-ddCTP | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ... | 著者 | Bertoletti, N, Anderson, K.S. | 登録日 | 2019-05-21 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine. Protein Sci., 28, 2019
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4Q0E
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![BU of 4q0e by Molmil](/molmil-images/mine/4q0e) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid. | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, ... | 著者 | Kumar, V.P, Anderson, K.S. | 登録日 | 2014-04-01 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase. Bioorg.Med.Chem.Lett., 24, 2014
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1H0N
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![BU of 1h0n by Molmil](/molmil-images/mine/1h0n) | |
4Q0D
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![BU of 4q0d by Molmil](/molmil-images/mine/4q0d) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid. | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | 著者 | Kumar, V.P, Anderson, K.S. | 登録日 | 2014-04-01 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.449 Å) | 主引用文献 | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase. Bioorg.Med.Chem.Lett., 24, 2014
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6WEP
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![BU of 6wep by Molmil](/molmil-images/mine/6wep) | Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site | 分子名称: | Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Czyzyk, D.J, Ruiz, V.G, Kumar, V.P, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-04-02 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitor Bioorg.Med.Chem.Lett., 30, 2020
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1H0O
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![BU of 1h0o by Molmil](/molmil-images/mine/1h0o) | |
4H4M
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![BU of 4h4m by Molmil](/molmil-images/mine/4h4m) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | 分子名称: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Reverse transcriptase/ribonuclease H, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2012-09-17 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design. J.Am.Chem.Soc., 134, 2012
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4H4O
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![BU of 4h4o by Molmil](/molmil-images/mine/4h4o) | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor | 分子名称: | (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2012-09-17 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design. J.Am.Chem.Soc., 134, 2012
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4BMO
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![BU of 4bmo by Molmil](/molmil-images/mine/4bmo) | Crystal Structure of Bacillus cereus Ribonucleotide Reductase di- iron NrdF in Complex with NrdI (1.8 A resolution) | 分子名称: | CHLORIDE ION, FE (II) ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Hammerstad, M, Hersleth, H.-P, Rohr, A.K, Andersson, K.K. | 登録日 | 2013-05-10 | 公開日 | 2014-03-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Crystal Structure of Bacillus Cereus Class Ib Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi. Acs Chem.Biol., 9, 2014
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4J0N
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![BU of 4j0n by Molmil](/molmil-images/mine/4j0n) | Crystal structure of a manganese dependent isatin hydrolase | 分子名称: | CALCIUM ION, Isatin hydrolase B, MANGANESE (II) ION, ... | 著者 | Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P. | 登録日 | 2013-01-31 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | A proton wire and water channel revealed in the crystal structure of isatin hydrolase. J.Biol.Chem., 289, 2014
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