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5TM5
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BU of 5tm5 by Molmil
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
Descriptor: 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, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Wright, N.J, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMQ
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BU of 5tmq by Molmil
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
Descriptor: 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLX
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BU of 5tlx by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide
Descriptor: 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TM6
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BU of 5tm6 by Molmil
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
Descriptor: 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, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMT
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BU of 5tmt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol
Descriptor: 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN6
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BU of 5tn6 by Molmil
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
Descriptor: (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, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
2NQ3
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BU of 2nq3 by Molmil
Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
Descriptor: CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-10-30
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published
4W9D
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BU of 4w9d by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4CI3
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BU of 4ci3 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to Pomalidomide
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Pomalidomide, ...
Authors:Fischer, E.S, Boehm, K, Thoma, N.H.
Deposit date:2013-12-05
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
4W9C
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BU of 4w9c by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
1IE9
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BU of 1ie9 by Molmil
Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR
Authors:Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D.
Deposit date:2001-04-09
Release date:2001-05-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
4W9H
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BU of 4w9h by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7)
Descriptor: N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9E
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BU of 4w9e by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
1M5B
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BU of 1m5b by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-Me-Tet-AMPA AT 1.85 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID, Glutamate receptor 2, ZINC ION
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
9FTG
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BU of 9ftg by Molmil
Closed conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10 mM Ca2+
Descriptor: CALCIUM ION, Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
9FTH
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BU of 9fth by Molmil
Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM Ca2+
Descriptor: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
9FTI
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BU of 9fti by Molmil
Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM EDTA
Descriptor: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
9FTJ
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BU of 9ftj by Molmil
Closed and disordered conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM EDTA
Descriptor: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
4CI1
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BU of 4ci1 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to thalidomide
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Thalidomide, ...
Authors:Fischer, E.S, Boehm, K, Thoma, N.H.
Deposit date:2013-12-05
Release date:2014-07-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
4W9L
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BU of 4w9l by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3,3-dimethylbutanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 15)
Descriptor: N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
8BD9
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BU of 8bd9 by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-18
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BDY
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BU of 8bdy by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-20
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BD8
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BU of 8bd8 by Molmil
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-18
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
4ZIP
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BU of 4zip by Molmil
HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand)
Descriptor: CHLORIDE ION, GLYCEROL, N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-04-28
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.
Bioorg.Med.Chem.Lett., 25, 2015
1BTJ
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BU of 1btj by Molmil
HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE, APO FORM, CRYSTAL FORM 2
Descriptor: PROTEIN (SERUM TRANSFERRIN)
Authors:Jeffrey, P.D, Bewley, M.C, Macgillivray, R.T.A, Mason, A.B, Woodworth, R.C, Baker, E.N.
Deposit date:1998-09-01
Release date:1999-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Ligand-induced conformational change in transferrins: crystal structure of the open form of the N-terminal half-molecule of human transferrin.
Biochemistry, 37, 1998

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