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5L9B
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HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-1ALPHA CODD (556-574)
Descriptor: 2-OXOGLUTARIC ACID, Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-10
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5KIZ
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BU of 5kiz by Molmil
Solution Structure of a repacked version of HIF-2 alpha PAS-B
Descriptor: Endothelial PAS domain-containing protein 1
Authors:Correa, F, Key, J, Kuhlman, B, Gardner, K.H.
Deposit date:2016-06-17
Release date:2016-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Computational Repacking of HIF-2 alpha Cavity Replaces Water-Based Stabilized Core.
Structure, 24, 2016
5KCE
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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
5JWP
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Crystal structure of human FIH D201E variant in complex with Zn, alpha-ketoglutarate, and HIF1 alpha peptide.
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
Authors:Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
Deposit date:2016-05-12
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The facial triad in the alpha-ketoglutarate dependent oxygenase FIH: A role for sterics in linking substrate binding to O2 activation.
J.Inorg.Biochem., 166, 2016
5JMM
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Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, Estrogen receptor, ...
Authors:Delfosse, V, Bourguet, W.
Deposit date:2016-04-29
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
To Be Published
5JI0
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PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
Descriptor: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Bloudoff, K, Larsen, N.A.
Deposit date:2016-04-21
Release date:2017-04-26
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
To Be Published
5I50
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Structure of OmoMYC bound to double-stranded DNA
Descriptor: DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein
Authors:Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
Deposit date:2016-02-13
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
5I4Z
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Structure of apo OmoMYC
Descriptor: CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ...
Authors:Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
Deposit date:2016-02-13
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
5I4V
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Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
Descriptor: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-02-12
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
5HJS
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Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5H1E
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Interaction between vitamin D receptor and coactivator peptide SRC2-3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor
Authors:Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K.
Deposit date:2016-10-08
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
5GNJ
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Structure of a transcription factor and DNA complex
Descriptor: DNA (5'-D(*AP*GP*GP*AP*AP*CP*AP*CP*GP*TP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*CP*AP*CP*GP*TP*GP*TP*TP*CP*C)-3'), Transcription factor MYC2
Authors:Lian, T, Xu, Y, Su, X.
Deposit date:2016-07-21
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Tetrameric Arabidopsis MYC2 Reveals the Mechanism of Enhanced Interaction with DNA.
Cell Rep, 19, 2017
5G5W
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Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators
Descriptor: 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ...
Authors:Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T.
Deposit date:2016-06-08
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
5G3J
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Discovery of New Selective Glucocorticoid Receptor Agonist Leads
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ...
Authors:Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S.
Deposit date:2016-04-27
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
5G1X
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BU of 5g1x by Molmil
Crystal structure of Aurora-A kinase in complex with N-Myc
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, MAGNESIUM ION, ...
Authors:Richards, M.W, Burgess, S.G, Bayliss, R.
Deposit date:2016-03-31
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis of N-Myc Binding by Aurora-A and its Destabilization by Kinase Inhibitors
Proc.Natl.Acad.Sci.USA, 113, 2016
5F74
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BU of 5f74 by Molmil
Crystal structure of ChREBP:14-3-3 complex bound with AMP
Descriptor: 14-3-3 protein beta/alpha, ADENOSINE MONOPHOSPHATE, Carbohydrate-responsive element-binding protein
Authors:Jung, H, Uyeda, K.
Deposit date:2015-12-07
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR.
J.Biol.Chem., 291, 2016
5EYO
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BU of 5eyo by Molmil
The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA
Descriptor: DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max
Authors:Wang, D, Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2015-11-25
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma.
Nucleic Acids Res., 45, 2017
5E1C
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E19
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E15
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E14
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E0X
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BU of 5e0x by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5E0W
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BU of 5e0w by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZI
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BU of 5dzi by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DZH
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016

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