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
 | | 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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4MEX
 | | Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-21 | | 最終更新日 | 2014-06-25 | | 実験手法 | X-RAY DIFFRACTION (3.902 Å) | | 主引用文献 | Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
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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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4KFB
 | | HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2013-04-26 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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4M5V
 | | Influenza 2009 H1N1 endonuclease with 100 millimolar calcium | | 分子名称: | CALCIUM ION, Polymerase PA, SULFATE 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 (1.8 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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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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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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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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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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7LRM
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-16 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRY
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | | 分子名称: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-17 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRI
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | | 分子名称: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-16 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LRX
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | | 分子名称: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-17 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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7LSK
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | | 分子名称: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-18 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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4MEY
 | | Crystal structure of Escherichia coli RNA polymerase holoenzyme | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.948 Å) | | 主引用文献 | Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
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4KO0
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | | 著者 | Das, K, Bauman, J.D, Arnold, E. | | 登録日 | 2013-05-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
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1R0A
 | | Crystal structure of HIV-1 reverse transcriptase covalently tethered to DNA template-primer solved to 2.8 angstroms | | 分子名称: | 5'-D(*A*TP*GP*CP*AP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*GP*GP*T)-3', 5'-D(*C*CP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*AP*GP*CP*GP*CP*CP*GP*(2DA))-3', GLYCEROL, ... | | 著者 | Tuske, S, Ding, J, Arnold, E. | | 登録日 | 2003-09-19 | | 公開日 | 2004-08-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Nonnucleoside inhibitor binding affects the interactions of the fingers subdomain of human immunodeficiency virus type 1 reverse transcriptase with DNA.
J.Virol., 78, 2004
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1T09
 | | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP | | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | | 登録日 | 2004-04-08 | | 公開日 | 2004-06-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
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1T03
 | | HIV-1 reverse transcriptase crosslinked to tenofovir terminated template-primer (complex P) | | 分子名称: | MAGNESIUM ION, POL polyprotein, Synthetic oligonucleotide primer, ... | | 著者 | Tuske, S, Sarafianos, S.G, Ding, J, Arnold, E. | | 登録日 | 2004-04-07 | | 公開日 | 2004-05-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir
Nat.Struct.Mol.Biol., 11, 2004
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | 著者 | Ruiz, F.X, Arnold, E. | | 登録日 | 2020-12-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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7KSE
 | | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled) | | 分子名称: | CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H | | 著者 | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | | 登録日 | 2020-11-21 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
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7KSF
 | | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native) | | 分子名称: | CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H | | 著者 | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | | 登録日 | 2020-11-21 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
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1S9R
 | | CRYSTAL STRUCTURE OF ARGININE DEIMINASE COVALENTLY LINKED WITH A REACTION INTERMEDIATE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGININE, Arginine deiminase, ... | | 著者 | Das, K, Buttler, G.H, Kwiatkowski, V, Clark Jr, A.D, Yadav, P, Arnold, E. | | 登録日 | 2004-02-05 | | 公開日 | 2004-04-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Arginine Deiminase with Covalent Reaction
Intermediates: Implications for Catalytic Mechanism
Structure, 12, 2004
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1T0L
 | | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+) | | 分子名称: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | | 登録日 | 2004-04-10 | | 公開日 | 2004-06-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
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