6CLJ
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![BU of 6clj by Molmil](/molmil-images/mine/6clj) | 1.01 A MicroED structure of GSNQNNF at 0.50 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6WFL
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![BU of 6wfl by Molmil](/molmil-images/mine/6wfl) | Camphor soaked P450cam D251E | 分子名称: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | 登録日 | 2020-04-03 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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6CLN
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![BU of 6cln by Molmil](/molmil-images/mine/6cln) | 1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLQ
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![BU of 6clq by Molmil](/molmil-images/mine/6clq) | 1.21 A MicroED structure of GSNQNNF at 2.8 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.21 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6YMZ
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![BU of 6ymz by Molmil](/molmil-images/mine/6ymz) | Structure of the CheB methylsterase from P. atrosepticum SCRI1043 | 分子名称: | ACETATE ION, GLYCEROL, Protein-glutamate methylesterase/protein-glutamine glutaminase, ... | 著者 | Gavira, J.A, Krell, T, Velando-Soriano, F, Matilla, M.A. | 登録日 | 2020-04-10 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Evidence for Pentapeptide-Dependent and Independent CheB Methylesterases. Int J Mol Sci, 21, 2020
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6YRS
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![BU of 6yrs by Molmil](/molmil-images/mine/6yrs) | Structure of a new variant of GNCA ancestral beta-lactamase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | 登録日 | 2020-04-20 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity. Nat Commun, 12, 2021
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5KRF
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![BU of 5krf by Molmil](/molmil-images/mine/5krf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Dynamic WAY derivative, 1a | 分子名称: | 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol, Estrogen receptor, KHKILHRLLQDSSS Peptide | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-02-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.193 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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6WGX
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![BU of 6wgx by Molmil](/molmil-images/mine/6wgx) | Cocrystal of BRD4(D1) with a selective inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | 著者 | Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2020-04-06 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*. Angew.Chem.Int.Ed.Engl., 60, 2021
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5LBA
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![BU of 5lba by Molmil](/molmil-images/mine/5lba) | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | 分子名称: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | 著者 | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-15 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea) To be published
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6CFH
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![BU of 6cfh by Molmil](/molmil-images/mine/6cfh) | |
5KNZ
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![BU of 5knz by Molmil](/molmil-images/mine/5knz) | Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED | 分子名称: | hIAPP(residues 19-29)S20G | 著者 | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | 登録日 | 2016-06-28 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.9 Å) | 主引用文献 | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity. Elife, 6, 2017
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5KRO
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![BU of 5kro by Molmil](/molmil-images/mine/5kro) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | 分子名称: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KWD
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![BU of 5kwd by Molmil](/molmil-images/mine/5kwd) | |
6CLC
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![BU of 6clc by Molmil](/molmil-images/mine/6clc) | 1.01 A MicroED structure of GSNQNNF at 0.27 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLH
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![BU of 6clh by Molmil](/molmil-images/mine/6clh) | 1.37 A MicroED structure of GSNQNNF at 2.9 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.37 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLP
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![BU of 6clp by Molmil](/molmil-images/mine/6clp) | 1.16 A MicroED structure of GSNQNNF at 2.5 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.16 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6WGW
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![BU of 6wgw by Molmil](/molmil-images/mine/6wgw) | CYP101D1 D259E Hydroxycamphor bound | 分子名称: | 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ... | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | 登録日 | 2020-04-06 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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6CMH
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![BU of 6cmh by Molmil](/molmil-images/mine/6cmh) | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | 分子名称: | PROTEIN (ENDOTHELIN-1) | 著者 | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | 登録日 | 1998-09-03 | 公開日 | 1999-09-29 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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4WQB
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![BU of 4wqb by Molmil](/molmil-images/mine/4wqb) | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak | 分子名称: | DI(HYDROXYETHYL)ETHER, HEME C, IODIDE ION, ... | 著者 | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | 登録日 | 2014-10-21 | 公開日 | 2015-02-18 | 最終更新日 | 2015-04-15 | 実験手法 | X-RAY DIFFRACTION (1.5013 Å) | 主引用文献 | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem., 290, 2015
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5KRH
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![BU of 5krh by Molmil](/molmil-images/mine/5krh) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone | 分子名称: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-02-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.243 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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6X47
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![BU of 6x47 by Molmil](/molmil-images/mine/6x47) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor | 分子名称: | 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-05-22 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.767 Å) | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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6X4E
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![BU of 6x4e by Molmil](/molmil-images/mine/6x4e) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor | 分子名称: | Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ... | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-05-22 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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4WQ7
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![BU of 4wq7 by Molmil](/molmil-images/mine/4wq7) | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - "as isolated" form | 分子名称: | HEME C, IODIDE ION, SULFATE ION, ... | 著者 | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | 登録日 | 2014-10-21 | 公開日 | 2015-02-18 | 最終更新日 | 2015-04-15 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem., 290, 2015
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6X49
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![BU of 6x49 by Molmil](/molmil-images/mine/6x49) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor | 分子名称: | 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-05-22 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.745 Å) | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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6X4F
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![BU of 6x4f by Molmil](/molmil-images/mine/6x4f) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor | 分子名称: | Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ... | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-05-22 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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