4LN7
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![BU of 4ln7 by Molmil](/molmil-images/mine/4ln7) | 5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-07-11 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4MK1
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![BU of 4mk1 by Molmil](/molmil-images/mine/4mk1) | 5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-09-04 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5O
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![BU of 4m5o by Molmil](/molmil-images/mine/4m5o) | 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4MK5
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![BU of 4mk5 by Molmil](/molmil-images/mine/4mk5) | 6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-09-04 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5Q
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![BU of 4m5q by Molmil](/molmil-images/mine/4m5q) | High-resolution apo influenza 2009 H1N1 endonuclease structure | 分子名称: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Polymerase PA | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.534 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M4Q
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![BU of 4m4q by Molmil](/molmil-images/mine/4m4q) | 6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease | 分子名称: | 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-07 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5U
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![BU of 4m5u by Molmil](/molmil-images/mine/4m5u) | 5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase PA, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease. Bioorg.Med.Chem., 21, 2013
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4KIL
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![BU of 4kil by Molmil](/molmil-images/mine/4kil) | 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one bound to influenza 2009 H1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-05-02 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease. ACS Med Chem Lett, 4, 2013
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4M5R
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![BU of 4m5r by Molmil](/molmil-images/mine/4m5r) | High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL | 分子名称: | 1,2-ETHANEDIOL, 4-(1H-IMIDAZOL-1-YL)PHENOL, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4MK2
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![BU of 4mk2 by Molmil](/molmil-images/mine/4mk2) | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-09-04 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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1KXG
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![BU of 1kxg by Molmil](/molmil-images/mine/1kxg) | The 2.0 Ang Resolution Structure of BLyS, B Lymphocyte Stimulator. | 分子名称: | 1,4-DIETHYLENE DIOXIDE, B lymphocyte stimulator, CITRIC ACID, ... | 著者 | Oren, D.A, Li, Y, Volovik, Y, Morris, T.S, Dharia, C, Das, K, Galperina, O, Gentz, R, Arnold, E. | 登録日 | 2002-01-31 | 公開日 | 2002-03-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of BLyS receptor recognition. Nat.Struct.Biol., 9, 2002
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1DLO
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![BU of 1dlo by Molmil](/molmil-images/mine/1dlo) | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | 分子名称: | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE | 著者 | Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E. | 登録日 | 1996-04-17 | 公開日 | 1996-08-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Structure, 4, 1996
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2BE2
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![BU of 2be2 by Molmil](/molmil-images/mine/2be2) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239 | 分子名称: | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E. | 登録日 | 2005-10-21 | 公開日 | 2005-12-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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2B5J
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![BU of 2b5j by Molmil](/molmil-images/mine/2b5j) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481 | 分子名称: | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ... | 著者 | Himmel, D.H, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Mguyen, C.H, Grierson, D.S, Arnold, E. | 登録日 | 2005-09-28 | 公開日 | 2005-12-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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4G1Q
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![BU of 4g1q by Molmil](/molmil-images/mine/4g1q) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2012-07-11 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Nat Chem, 5, 2013
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1SUL
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![BU of 1sul by Molmil](/molmil-images/mine/1sul) | Crystal Structure of the apo-YsxC | 分子名称: | GTP-binding protein YsxC | 著者 | Ruzheinikov, S.N, Das, K.S, Sedelnikova, S.E, Baker, P.J, Artymiuk, P.J, Garcia-Lara, J, Foster, S.J, Rice, D.W. | 登録日 | 2004-03-26 | 公開日 | 2004-05-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Analysis of the Open and Closed Conformations of the GTP-binding Protein YsxC from Bacillus subtilis. J.Mol.Biol., 339, 2004
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1QE1
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![BU of 1qe1 by Molmil](/molmil-images/mine/1qe1) | CRYSTAL STRUCTURE OF 3TC-RESISTANT M184I MUTANT OF HIV-1 REVERSE TRANSCRIPTASE | 分子名称: | REVERSE TRANSCRIPTASE, SUBUNIT P51, SUBUNIT P66 | 著者 | Sarafianos, S.G, Das, K, Ding, J, Hughes, S.H, Arnold, E. | 登録日 | 1999-07-12 | 公開日 | 1999-08-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids. Proc.Natl.Acad.Sci.USA, 96, 1999
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1TW6
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![BU of 1tw6 by Molmil](/molmil-images/mine/1tw6) | Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | 著者 | Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J. | 登録日 | 2004-06-30 | 公開日 | 2004-11-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.713 Å) | 主引用文献 | Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP Biochem.J., 385, 2005
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2B6A
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![BU of 2b6a by Molmil](/molmil-images/mine/2b6a) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 | 分子名称: | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit | 著者 | Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J. | 登録日 | 2005-09-30 | 公開日 | 2005-11-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 TO BE PUBLISHED
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3DLK
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![BU of 3dlk by Molmil](/molmil-images/mine/3dlk) | Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A | 分子名称: | Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT | 著者 | Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E. | 登録日 | 2008-06-27 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Nucleic Acids Res., 36, 2008
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1N5Y
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![BU of 1n5y by Molmil](/molmil-images/mine/1n5y) | HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | 分子名称: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | 著者 | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | 登録日 | 2002-11-07 | 公開日 | 2003-01-28 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
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3EDY
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![BU of 3edy by Molmil](/molmil-images/mine/3edy) | Crystal Structure of the Precursor Form of Human Tripeptidyl-Peptidase 1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Guhaniyogi, J, Sohar, I, Das, K, Lobel, P, Stock, A.M. | 登録日 | 2008-09-03 | 公開日 | 2008-11-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis J.Biol.Chem., 284, 2009
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4I2Q
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![BU of 4i2q by Molmil](/molmil-images/mine/4i2q) | Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue | 分子名称: | (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Gag-Pol polyprotein | 著者 | Patel, D, Bauman, J.D, Das, K, Arnold, E. | 登録日 | 2012-11-22 | 公開日 | 2013-01-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7004 Å) | 主引用文献 | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
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1N6Q
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![BU of 1n6q by Molmil](/molmil-images/mine/1n6q) | HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | 分子名称: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | 著者 | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | 登録日 | 2002-11-11 | 公開日 | 2003-01-14 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
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4I2P
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![BU of 4i2p by Molmil](/molmil-images/mine/4i2p) | Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue | 分子名称: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein | 著者 | Patel, D, Bauman, J.D, Das, K, Arnold, E. | 登録日 | 2012-11-22 | 公開日 | 2013-01-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2964 Å) | 主引用文献 | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
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