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4Q6A
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BU of 4q6a by Molmil
Staphylococcus aureus V31L, F98Y Mutant Dihydrofolate Reductase Complexed with NADPH
分子名称: ACETATE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Reeve, S.M, Anderson, A.C.
登録日2014-04-21
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Protein design algorithms predict viable resistance to an experimental antifolate.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Q67
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BU of 4q67 by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH
分子名称: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Reeve, S.M, Anderson, A.C.
登録日2014-04-21
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Protein design algorithms predict viable resistance to an experimental antifolate.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RWK
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BU of 4rwk by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE (AZD4547)
分子名称: Fibroblast growth factor receptor 1, MAGNESIUM ION, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
著者Sohl, C.D, Anderson, K.S.
登録日2014-12-04
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.982 Å)
主引用文献Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4RWJ
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BU of 4rwj by Molmil
Crystal Structure of FGFR1 (C488A, C584S) in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE)
分子名称: Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
著者Sohl, C.D, Anderson, K.S.
登録日2014-12-04
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.489 Å)
主引用文献Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4RWI
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BU of 4rwi by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M), apo
分子名称: Fibroblast growth factor receptor 1
著者Sohl, C.D, Anderson, K.S.
登録日2014-12-04
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4RWL
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BU of 4rwl by Molmil
Crystal structure of FGFR1 (C488A, C584C) in complex with 6-(7-((1-aminocyclopropyl) methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide (E3810)
分子名称: 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
著者Sohl, C.D, Anderson, K.S.
登録日2014-12-04
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
6DTX
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BU of 6dtx by Molmil
Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, GLYCEROL, Reverse transcriptase/ribonuclease H, ...
著者Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
登録日2018-06-18
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.327 Å)
主引用文献Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
8STT
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BU of 8stt by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient 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, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STR
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BU of 8str by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STS
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BU of 8sts by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STU
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BU of 8stu by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STV
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BU of 8stv by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
分子名称: 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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