8DUH
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![BU of 8duh by Molmil](/molmil-images/mine/8duh) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((R)-2-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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5KE3
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![BU of 5ke3 by Molmil](/molmil-images/mine/5ke3) | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | Descriptor: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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5FZ5
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![BU of 5fz5 by Molmil](/molmil-images/mine/5fz5) | Transcription initiation complex structures elucidate DNA opening (CC) | Descriptor: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | Authors: | Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P. | Deposit date: | 2016-03-10 | Release date: | 2016-05-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.8 Å) | Cite: | Transcription Initiation Complex Structures Elucidate DNA Opening Nature, 533, 2016
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5KEC
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![BU of 5kec by Molmil](/molmil-images/mine/5kec) | Structure of K. pneumonia MrkH in its apo state. | Descriptor: | Flagellar brake protein YcgR | Authors: | Schumacher, M. | Deposit date: | 2016-06-09 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | to be published:
Structures of K. pneumonia MrkH: dual utilization of the PilZ fold for c-di-GMP and DNA binding by a novel activator of biofilm genes To Be Published
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8DV8
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![BU of 8dv8 by Molmil](/molmil-images/mine/8dv8) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-((2-(1-propylpyrrolidin-3-yl)ethyl)thio)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, {(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-28 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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1AO3
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![BU of 1ao3 by Molmil](/molmil-images/mine/1ao3) | |
8DU9
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![BU of 8du9 by Molmil](/molmil-images/mine/8du9) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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5JXI
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![BU of 5jxi by Molmil](/molmil-images/mine/5jxi) | Structure of the unliganded form of the proprotein convertase furin in presence of EDTA. | Descriptor: | CALCIUM ION, CHLORIDE ION, Furin, ... | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | Deposit date: | 2016-05-13 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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8DR3
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![BU of 8dr3 by Molmil](/molmil-images/mine/8dr3) | Closed state of RFC:PCNA bound to a 3' ss/dsDNA junction (DNA2) with NTD | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*CP*CP*CP*CP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3'), DNA (5'-D(P*TP*TP*AP*GP*GP*GP*GP*GP*GP*GP*GP*GP*A)-3'), ... | Authors: | Schrecker, M, Hite, R.K. | Deposit date: | 2022-07-20 | Release date: | 2022-08-17 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Multistep loading of a DNA sliding clamp onto DNA by replication factor C. Elife, 11, 2022
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1A1Z
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![BU of 1a1z by Molmil](/molmil-images/mine/1a1z) | FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED AVERAGE STRUCTURE | Descriptor: | FADD PROTEIN | Authors: | Eberstadt, M, Huang, B, Chen, Z, Meadows, R.P, Ng, C, Fesik, S.W. | Deposit date: | 1997-12-18 | Release date: | 1998-12-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure and mutagenesis of the FADD (Mort1) death-effector domain. Nature, 392, 1998
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8DVH
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![BU of 8dvh by Molmil](/molmil-images/mine/8dvh) | Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA) | Descriptor: | Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION | Authors: | Sekula, B, Li, M, Gustchina, A, Wlodawer, A. | Deposit date: | 2022-07-29 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases. Int J Mol Sci, 23, 2022
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8DUS
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![BU of 8dus by Molmil](/molmil-images/mine/8dus) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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8DUI
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![BU of 8dui by Molmil](/molmil-images/mine/8dui) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(dimethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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5UI0
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![BU of 5ui0 by Molmil](/molmil-images/mine/5ui0) | |
5CQU
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![BU of 5cqu by Molmil](/molmil-images/mine/5cqu) | Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | Descriptor: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | Deposit date: | 2015-07-22 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
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5JQW
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![BU of 5jqw by Molmil](/molmil-images/mine/5jqw) | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthase | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-05 | Release date: | 2016-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published
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8DV7
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![BU of 8dv7 by Molmil](/molmil-images/mine/8dv7) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethyl)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-28 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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3BHU
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![BU of 3bhu by Molmil](/molmil-images/mine/3bhu) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 | Descriptor: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
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165L
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![BU of 165l by Molmil](/molmil-images/mine/165l) | CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Blaber, M, Matthews, B.W. | Deposit date: | 1994-06-20 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent. J.Mol.Biol., 246, 1995
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4FXQ
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![BU of 4fxq by Molmil](/molmil-images/mine/4fxq) | Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6 | Descriptor: | 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, CHLORIDE ION, Putative ADP-ribosyltransferase Certhrax, ... | Authors: | Visschedyk, D.D, Dimov, S, Kimber, M.S, Park, H.W, Merrill, A.R. | Deposit date: | 2012-07-03 | Release date: | 2012-09-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9599 Å) | Cite: | Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. J.Biol.Chem., 287, 2012
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5TTP
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![BU of 5ttp by Molmil](/molmil-images/mine/5ttp) | |
5JRN
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![BU of 5jrn by Molmil](/molmil-images/mine/5jrn) | Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | Deposit date: | 2016-05-06 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution To Be Published
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8DUG
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![BU of 8dug by Molmil](/molmil-images/mine/8dug) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((S)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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5FFJ
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![BU of 5ffj by Molmil](/molmil-images/mine/5ffj) | |
8DUB
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![BU of 8dub by Molmil](/molmil-images/mine/8dub) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with ((1'-(4-((1-ethylpyrrolidin-3-yl)methyl)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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