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3CC9
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BU of 3cc9 by Molmil
Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate
Descriptor: GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION
Authors:Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2008-02-25
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate.
To be Published
4Z7I
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BU of 4z7i by Molmil
Crystal structure of insulin regulated aminopeptidase in complex with ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ...
Authors:Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
Deposit date:2015-04-07
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
3LDW
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BU of 3ldw by Molmil
Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-01-13
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
3B7P
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BU of 3b7p by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase
Authors:Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
3EZ3
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BU of 3ez3 by Molmil
Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2008-10-22
Release date:2008-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
TO BE PUBLISHED
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
3GUE
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BU of 3gue by Molmil
Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ...
Authors:Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-03-29
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
To be Published
3H80
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BU of 3h80 by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
Descriptor: 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ...
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-04-28
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
To be Published
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
5IHZ
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BU of 5ihz by Molmil
Crystal structure of anti-gliadin 1002-1E01 Fab fragment
Descriptor: 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-03-01
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5IJK
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BU of 5ijk by Molmil
Crystal structure of anti-gliadin 1002-1E03 Fab fragment in complex of peptide PLQPEQPFP
Descriptor: 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION, ...
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-03-02
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5IFJ
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BU of 5ifj by Molmil
Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPEQPFP
Descriptor: 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ...
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-02-26
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
5KCW
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BU of 5kcw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KD9
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BU of 5kd9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5IG7
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BU of 5ig7 by Molmil
Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPQQPFP
Descriptor: 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ...
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-02-27
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2D
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BU of 5k2d by Molmil
1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2C
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BU of 5k2c by Molmil
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5KCE
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BU of 5kce by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5IK3
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BU of 5ik3 by Molmil
Crystal structure of anti-gliadin 1002-1E03 Fab fragment
Descriptor: 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION
Authors:Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M.
Deposit date:2016-03-03
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
Authors:Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5KCU
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BU of 5kcu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCD
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BU of 5kcd by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017

223790

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