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7UJF
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJW
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJM
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJO
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411
分子名称: (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJY
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Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
8RHN
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Structure of the 55LCC ATPase complex
分子名称: ATPase family gene 2 protein homolog A, ATPase family gene 2 protein homolog B, Cyclin-dependent kinase 2-interacting protein, ...
著者Foglizzo, M, Degtjarik, O, Zeqiraj, E.
登録日2023-12-15
公開日2024-03-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
8R5V
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Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide
分子名称: 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic
著者Dolot, R, Jastrzebska, K, Antonczyk, P.
登録日2023-11-17
公開日2023-12-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.
Org.Biomol.Chem., 2024
7XDU
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TtherAmDH-NAD+
分子名称: 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, C, Qian, Y.Y, Pan, J, Bai, Y.P, Xu, J.H.
登録日2022-03-28
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Stereoselective synthesis of chiral lactams via an engineered natural amine dehydrogenase.
To Be Published
7KBS
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with Raloxifene
分子名称: Estrogen receptor, RALOXIFENE
著者Fanning, S.W.
登録日2020-10-02
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.834 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
8R7Y
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Deoxyribonucleoside regulator DeoR in complex with the DNA operator
分子名称: Deoxyribonucleoside regulator, OL18 DNA operator, strand 1, ...
著者Pachl, P, Soltysova, M, Rezacova, P.
登録日2023-11-27
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024
1NDL
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BU of 1ndl by Molmil
THE AWD NUCLEOTIDE DIPHOSPHATE KINASE FROM DROSOPHILA
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Janin, J, Chiadmi, M, Dumas, C, Lascu, I, Lebras, G, Morera, S, Veron, M.
登録日1993-11-27
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the Awd nucleotide diphosphate kinase from Drosophila.
Structure, 1, 1993
8OL1
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BU of 8ol1 by Molmil
cGAS-Nucleosome in complex with SPSB3-ELOBC (composite structure)
分子名称: Cyclic GMP-AMP synthase, DNA (145-MER), Elongin-B, ...
著者Xu, P.B, Ablasser, A.
登録日2023-03-29
公開日2024-02-14
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation.
Nature, 627, 2024
1XQI
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BU of 1xqi by Molmil
Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL
著者Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C.
登録日2004-10-12
公開日2005-09-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum
Protein Sci., 14, 2005
4HX9
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BU of 4hx9 by Molmil
Designed Phosphodeoxyribosyltransferase
分子名称: Nucleoside deoxyribosyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL
著者Kaminski, P.A, Labesse, G.
登録日2012-11-09
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Phosphodeoxyribosyltransferases, designed enzymes for deoxyribonucleotides synthesis.
J.Biol.Chem., 288, 2013
3AAP
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BU of 3aap by Molmil
Crystal Structure of Lp1NTPDase from Legionella pneumophila
分子名称: Ectonucleoside triphosphate diphosphohydrolase I
著者Vivian, J.P, Beddoe, T, Rossjohn, J.
登録日2009-11-24
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
分子名称: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
著者Harris, S.F, Villasenor, A.
登録日2008-07-30
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
分子名称: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2008-07-25
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
2X4G
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BU of 2x4g by Molmil
Crystal structure of PA4631, a nucleoside-diphosphate-sugar epimerase from Pseudomonas aeruginosa
分子名称: NUCLEOSIDE-DIPHOSPHATE-SUGAR EPIMERASE
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-01-30
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
4FYI
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BU of 4fyi by Molmil
Crystal structure of rcl with 6-cyclopentyl-AMP
分子名称: Deoxyribonucleoside 5'-monophosphate N-glycosidase, N-cyclopentyladenosine 5'-(dihydrogen phosphate)
著者Labesse, G, Padilla, A, Kaminski, P.A.
登録日2012-07-04
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4BVO
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BU of 4bvo by Molmil
Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1
分子名称: 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2013-06-27
公開日2014-02-12
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
4O4G
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Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor
分子名称: 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M.
登録日2013-12-18
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.712 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4O44
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Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
分子名称: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M, Anderson, K.S.
登録日2013-12-18
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4BVP
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Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2013-06-27
公開日2014-02-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
4KKO
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BU of 4kko by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor
分子名称: 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Frey, K.M, Anderson, K.S.
登録日2013-05-06
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.89 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
2X0X
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Ribonucleotide reductase R1 subunit of E. coli to 2.3 A resolution
分子名称: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT ALPHA, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT BETA, SULFATE ION
著者Yokoyama, K, Uhlin, U, Stubbe, J.
登録日2009-12-18
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Site-Specific Incorporation of 3-Nitrotyrosine as a Probe of Pk(A) Perturbation of Redox-Active Tyrosines in Ribonucleotide Reductase.
J.Am.Chem.Soc., 132, 2010

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件を2024-11-06に公開中

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