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Structure paper

タイトルSystems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
ジャーナル・号・ページCell Chem Biol, Vol. 24, Page 35-45, Year 2017
掲載日2016年7月7日 (構造データの登録日)
著者Nwachukwu, J.C. / Srinivasan, S. / Bruno, N.E. / Nowak, J. / Wright, N.J. / Minutolo, F. / Rangarajan, E.S. / Izard, T. / Yao, X.Q. / Grant, B.J. ...Nwachukwu, J.C. / Srinivasan, S. / Bruno, N.E. / Nowak, J. / Wright, N.J. / Minutolo, F. / Rangarajan, E.S. / Izard, T. / Yao, X.Q. / Grant, B.J. / Kojetin, D.J. / Elemento, O. / Katzenellenbogen, J.A. / Nettles, K.W.
リンクCell Chem Biol / PubMed:28042045
手法X線回折
解像度1.857 - 2.7 Å
構造データ

PDB-5kr9:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol
手法: X-RAY DIFFRACTION / 解像度: 2.25 Å

PDB-5kra:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE
手法: X-RAY DIFFRACTION / 解像度: 2.401 Å

PDB-5krc:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone
手法: X-RAY DIFFRACTION / 解像度: 2.4 Å

PDB-5krf:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Dynamic WAY derivative, 1a
手法: X-RAY DIFFRACTION / 解像度: 2.193 Å

PDB-5krh:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone
手法: X-RAY DIFFRACTION / 解像度: 2.243 Å

PDB-5kri:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol
手法: X-RAY DIFFRACTION / 解像度: 2.247 Å

PDB-5krj:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an a-naphthyl Substituted OBHS derivative
手法: X-RAY DIFFRACTION / 解像度: 2.7 Å

PDB-5krk:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol
手法: X-RAY DIFFRACTION / 解像度: 2.391 Å

PDB-5krl:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2-chloro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
手法: X-RAY DIFFRACTION / 解像度: 2.4 Å

PDB-5krm:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
手法: X-RAY DIFFRACTION / 解像度: 2.24 Å

PDB-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
手法: X-RAY DIFFRACTION / 解像度: 2.1 Å

PDB-5tld:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
手法: X-RAY DIFFRACTION / 解像度: 2.375 Å

PDB-5tlf:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol
手法: X-RAY DIFFRACTION / 解像度: 2.204 Å

PDB-5tlg:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4,4''-dihydroxy-3'-((hydroxyiminio)methyl)-[1,1':2',1''-terphenyl]-4'-olate
手法: X-RAY DIFFRACTION / 解像度: 2.228 Å

PDB-5tll:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-2-chloro-4'-hydroxy-4-((hydroxyiminio)methyl)-[1,1'-biphenyl]-3-olate
手法: X-RAY DIFFRACTION / 解像度: 2.423 Å

PDB-5tlm:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol
手法: X-RAY DIFFRACTION / 解像度: 2.497 Å

PDB-5tlo:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen
手法: X-RAY DIFFRACTION / 解像度: 2.28 Å

PDB-5tlp:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-BSC Analog, 3-fluorophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate and 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine
手法: X-RAY DIFFRACTION / 解像度: 2.08 Å

PDB-5tlt:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)
手法: X-RAY DIFFRACTION / 解像度: 1.903 Å

PDB-5tlu:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine
手法: X-RAY DIFFRACTION / 解像度: 2.223 Å

PDB-5tlv:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol)
手法: X-RAY DIFFRACTION / 解像度: 2.323 Å

PDB-5tlx:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide
手法: X-RAY DIFFRACTION / 解像度: 2.103 Å

PDB-5tly:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(2-fluoro-4-hydroxyphenyl)thiophene 1,1-dioxide
手法: X-RAY DIFFRACTION / 解像度: 2.143 Å

PDB-5tm1:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide
手法: X-RAY DIFFRACTION / 解像度: 2.231 Å

PDB-5tm2:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
手法: X-RAY DIFFRACTION / 解像度: 2.603 Å

PDB-5tm3:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
手法: X-RAY DIFFRACTION / 解像度: 2.194 Å

PDB-5tm4:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.25 Å

PDB-5tm5:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.24 Å

PDB-5tm6:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.542 Å

PDB-5tm7:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.4 Å

PDB-5tm8:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid
手法: X-RAY DIFFRACTION / 解像度: 1.99 Å

PDB-5tm9:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid
手法: X-RAY DIFFRACTION / 解像度: 2.5 Å

PDB-5tml:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.25 Å

PDB-5tmm:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
手法: X-RAY DIFFRACTION / 解像度: 2.2 Å

PDB-5tmo:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
手法: X-RAY DIFFRACTION / 解像度: 2.172 Å

PDB-5tmq:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
手法: X-RAY DIFFRACTION / 解像度: 2.24 Å

PDB-5tmr:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate
手法: X-RAY DIFFRACTION / 解像度: 2.296 Å

PDB-5tms:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate
手法: X-RAY DIFFRACTION / 解像度: 2.24 Å

PDB-5tmt:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol
手法: X-RAY DIFFRACTION / 解像度: 2.051 Å

PDB-5tmu:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(cycloheptylidenemethylene)diphenol
手法: X-RAY DIFFRACTION / 解像度: 2.429 Å

PDB-5tmv:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
手法: X-RAY DIFFRACTION / 解像度: 2.38 Å

PDB-5tmw:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
手法: X-RAY DIFFRACTION / 解像度: 2.286 Å

PDB-5tmz:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
手法: X-RAY DIFFRACTION / 解像度: 2.207 Å

PDB-5tn1:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
手法: X-RAY DIFFRACTION / 解像度: 2.055 Å

PDB-5tn3:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S)-17-((4-isopropylphenyl)amino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
手法: X-RAY DIFFRACTION / 解像度: 2.543 Å

PDB-5tn4:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the ACD-ring estrogen, (S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
手法: X-RAY DIFFRACTION / 解像度: 1.857 Å

PDB-5tn5:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
手法: X-RAY DIFFRACTION / 解像度: 1.892 Å

PDB-5tn6:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
手法: X-RAY DIFFRACTION / 解像度: 2.091 Å

PDB-5tn7:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate
手法: X-RAY DIFFRACTION / 解像度: 2.238 Å

PDB-5tn8:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate
手法: X-RAY DIFFRACTION / 解像度: 2.652 Å

化合物

ChemComp-CUE:
Coumestrol / クメストロ-ル

ChemComp-HOH:
WATER

ChemComp-6WS:
1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene / 2,2-ビス(4-クロロフェニル)-1,1-ジクロロエチレン

ChemComp-6WT:
1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene / DDT

ChemComp-ZER:
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione / ゼアラレノン / toxin*YM

ChemComp-6WL:
4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

ChemComp-6WN:
(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[ / (16E)-16-ベンジリデン-3β-ヒドロキシエストラ-1,3,5(10)-トリエン-17-オン

ChemComp-6WM:
(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol / 16β-ベンジルエストラジオ-ル

ChemComp-6WP:
naphthalen-1-yl (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

ChemComp-6WQ:
4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol

ChemComp-6WR:
(1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol

ChemComp-6WU:
(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol

ChemComp-6WW:
(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

ChemComp-6WV:
(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

ChemComp-7EF:
4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol

ChemComp-7EG:
2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol

ChemComp-7EL:
2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol

ChemComp-7EM:
4,4',4''-(thiene-2,3,5-triyl)triphenol

ChemComp-7EE:
(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol / 17-(4-アミノフェニルエチニル)-1,3,5(10)-エストラトリエン-3,17β-ジオ-ル

ChemComp-7EH:
3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine / 3-メチル-6-フェニル-3H-イミダゾ[4,5-b]ピリジン-2-アミン

ChemComp-7ET:
3-fluorophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

ChemComp-7ED:
8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate

ChemComp-7ES:
4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)

ChemComp-7G5:
3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione / 4,4′-[(2,5-ジヒドロチオフェン-1,1-ジオキシド)-3,4-ジイル]ビスフェノ-ル

ChemComp-7ER:
3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione

ChemComp-7EQ:
2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one

ChemComp-7EO:
2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one

ChemComp-7EN:
(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one

ChemComp-7E3:
5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid

ChemComp-7EV:
5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid

ChemComp-7J9:
6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid

ChemComp-7JY:
7-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid

ChemComp-7K6:
7-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid

ChemComp-7KL:
3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid

ChemComp-7E1:
6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid

ChemComp-7M4:
6-{4-[(1S,4S,6S)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid

ChemComp-7M1:
phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate

ChemComp-7M7:
4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate

ChemComp-7FD:
ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate

ChemComp-7FG:
ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate

ChemComp-7FJ:
4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol

ChemComp-7FL:
4,4'-(cycloheptylidenemethylene)diphenol / 4,4′-シクロヘプチリデンメチレンビスフェノ-ル

ChemComp-7FO:
4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

ChemComp-7FP:
4-(acetylamino)phenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

ChemComp-7FQ:
(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol

ChemComp-7FR:
(9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol

ChemComp-7FS:
(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol

ChemComp-7FZ:
(1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol

ChemComp-7G0:
(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol

ChemComp-7G1:
(1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol

ChemComp-7G2:
3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol

ChemComp-7G3:
3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol

由来
  • homo sapiens (ヒト)
  • synthetic construct (人工物)
キーワードTRANSCRIPTION / Nuclear receptor / transcription factor / ligand binding / protein-ligand complex

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万見文献について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

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2020年8月12日: 新型コロナ情報

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関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

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2019年1月31日: EMDBのIDの桁数の変更

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外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見文献

EMDB/PDB/SASBDBから引用されている文献のデータベース

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