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2MJV
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BU of 2mjv by Molmil
Solution structures of second bromodomain of Brd4 with di-acetylated Twist peptide
分子名称: Bromodomain-containing protein 4, Twist-related protein 1
著者Zeng, L, Zhou, M.
登録日2014-01-16
公開日2014-03-19
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer.
Cancer Cell, 25, 2014
7Q5X
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BU of 7q5x by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542)
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
登録日2021-11-04
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
7Q5V
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BU of 7q5v by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ...
著者Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
登録日2021-11-04
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
7QGS
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BU of 7qgs by Molmil
Crystal structure of p300 CH1 domain in complex with CITIF (a CITED2-HIF-1alpha hybrid)
分子名称: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION
著者Hegedus, Z, Wilson, A.J, Edwards, T.A.
登録日2021-12-10
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
7PDQ
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BU of 7pdq by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment
分子名称: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者le Maire, A, Bourguet, W, Guee, L.
登録日2021-08-06
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
7PDT
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BU of 7pdt by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment
分子名称: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者le Maire, A, Bourguet, W, Guee, L.
登録日2021-08-07
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
7QPI
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BU of 7qpi by Molmil
Structure of lamprey VDR in complex with 1,25D3
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, MAGNESIUM ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2022-01-04
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
9FBF
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BU of 9fbf by Molmil
VDR complex with UG-481
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2024-05-13
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
9EYR
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BU of 9eyr by Molmil
VDR complex with gemini analog UG-480
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2024-04-09
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
9EZ1
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BU of 9ez1 by Molmil
Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3
分子名称: 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ...
著者Rochel, N.
登録日2024-04-10
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
8WLG
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BU of 8wlg by Molmil
Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment
分子名称: Polyhedrin,Myc proto-oncogene protein
著者Kojima, M, Ueno, T, Abe, S, Hirata, K.
登録日2023-09-29
公開日2024-06-05
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization.
Proc.Natl.Acad.Sci.USA, 121, 2024
9EZ2
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BU of 9ez2 by Molmil
Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3
分子名称: 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ...
著者Rochel, N.
登録日2024-04-10
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
6OQX
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BU of 6oqx by Molmil
Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator
分子名称: (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
6OR1
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BU of 6or1 by Molmil
Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator
分子名称: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
7NEL
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BU of 7nel by Molmil
ER-PRS*(+) (Y537S) in complex with estradiol and SRC-2 coactivator peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, ESTRADIOL, ...
著者Kriegel, M, Muller, Y.A.
登録日2021-02-04
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
7NFB
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BU of 7nfb by Molmil
ER-PRS*(+) (Y537S) in complex with genistein and SRC-2 coactivator peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Estrogen receptor, ...
著者Kriegel, M, Muller, Y.A.
登録日2021-02-05
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
6OQY
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BU of 6oqy by Molmil
Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
分子名称: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
4Y29
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BU of 4y29 by Molmil
Identification of a novel PPARg ligand that regulates metabolism
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Wang, R, Li, Y.
登録日2015-02-09
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Selective targeting of PPAR gamma by the natural product chelerythrine with a unique binding mode and improved antidiabetic potency.
Sci Rep, 5, 2015
7NKE
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BU of 7nke by Molmil
Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment
分子名称: 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ...
著者Carivenc, C, Bourguet, W.
登録日2021-02-17
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Endocrinology, 164, 2023
5JWP
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BU of 5jwp by Molmil
Crystal structure of human FIH D201E variant in complex with Zn, alpha-ketoglutarate, and HIF1 alpha peptide.
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
著者Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
登録日2016-05-12
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
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
分子名称: (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
著者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.
登録日2016-06-06
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
4WG0
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BU of 4wg0 by Molmil
Crystal structure of a tridecameric superhelix
分子名称: CHOLIC ACID, Nuclear receptor coactivator 2, SULFATE ION
著者Rudolph, M.G, Uson, I, Schoch, G.
登録日2014-09-17
公開日2015-01-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of a 13-fold superhelix (almost) determined from first principles.
Iucrj, 2, 2015
7OY4
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BU of 7oy4 by Molmil
VDR complex of a side-chain hydroxylated derivatives of lithocholic acid
分子名称: (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-06-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
7OXZ
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BU of 7oxz by Molmil
VDR complex with a side-chain hydroxylated derivative of lithocholic acid
分子名称: (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-06-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
5JI0
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BU of 5ji0 by Molmil
PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
分子名称: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
著者Bloudoff, K, Larsen, N.A.
登録日2016-04-21
公開日2017-04-26
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
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