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8SVU
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BU of 8svu by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form
分子名称: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVT
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BU of 8svt by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8OTS
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BU of 8ots by Molmil
OCT4 and MYC-MAX co-bound to a nucleosome
分子名称: DNA (127-MER), Green fluorescent protein,POU domain, class 5, ...
著者Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.
登録日2023-04-21
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OTT
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BU of 8ott by Molmil
MYC-MAX bound to a nucleosome at SHL+5.8
分子名称: DNA (144-MER), Histone H2A type 1-B/E, Histone H2A type 1-K, ...
著者Stoos, L, Michael, A.K, Kempf, G, Kater, L, Cavadini, S, Thoma, N.
登録日2023-04-21
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSL
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BU of 8osl by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to the native Por enhancer nucleosome (map 2, additional 3D classification and flexible refinement)
分子名称: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (147-MER), ...
著者Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.
登録日2023-04-19
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSK
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BU of 8osk by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL+5.8 (composite map)
分子名称: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ...
著者Stoos, L, Michael, A.K, Kempf, G, Cavadini, S, Thoma, N.H.
登録日2023-04-19
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSJ
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BU of 8osj by Molmil
Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL-6.2 (DNA conformation 1)
分子名称: Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ...
著者Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.H.
登録日2023-04-19
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
8OSB
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BU of 8osb by Molmil
TWIST1-TCF4-ALX4 complex on specific DNA
分子名称: DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ...
著者Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J.
登録日2023-04-18
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献DNA-guided transcription factor cooperativity shapes face and limb mesenchyme.
Cell, 187, 2024
8J2Q
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BU of 8j2q 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2023-04-15
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Screening system for structure determination of intrinsically disordered protein using cell-free protein crystallization
To Be Published
8GL7
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BU of 8gl7 by Molmil
AncAR1 - progesterone - Tif2
分子名称: Ancestral androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ...
著者Little, M.M, Ortlund, E.A.
登録日2023-03-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolutionary tuning of a key helix drove androgen selectivity
To Be Published
8CKC
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BU of 8ckc by Molmil
Vitamin D receptor complex with 25-amine derivative of 1,25D3
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2023-02-15
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
8CK5
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VDR LBD complex with 25-nitro derivative of 1,25D3
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
著者Musil, D, Lehmannn, M, Diehl, L.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK4
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BU of 8ck4 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8G4A
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BU of 8g4a by Molmil
Human ARNT PAS-B complexed with KG-548 small molecule
分子名称: 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole, Aryl hydrocarbon receptor nuclear translocator
著者Xu, X, Isiorho, E.A, Pimentel Marcelino, L, Gardner, K.H.
登録日2023-02-08
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Use of High Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
To Be Published
8IA3
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BU of 8ia3 by Molmil
Crystal structure of human USF2 bHLHLZ domain in complex with DNA
分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2
著者Huang, C, Fang, P, Wang, J.
登録日2023-02-07
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain.
J.Biol.Chem., 299, 2023
8C1L
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BU of 8c1l by Molmil
Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
分子名称: 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ...
著者Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
To Be Published
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-11-29
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8F8M
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LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
分子名称: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2022-11-22
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
8F5Y
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BU of 8f5y by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T.
登録日2022-11-15
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
8EV1
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Dual Modulators
分子名称: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
8EV2
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Dual Modulators
分子名称: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
8E1D
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BU of 8e1d by Molmil
NMR-derived ensemble of the TAZ2 domain of p300 bound to the microphthalmia-associated transcription factor
分子名称: Histone acetyltransferase p300, Microphthalmia-associated transcription factor, ZINC ION
著者Langelaan, D.N, Branch, M.
登録日2022-08-10
公開日2023-06-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of CBP/p300 recruitment by the microphthalmia-associated transcription factor.
Biochim Biophys Acta Mol Cell Res, 1870, 2023
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
分子名称: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
著者Xia, Y, Yao, D, Huang, C, Cao, Y.
登録日2022-07-08
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023

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件を2024-06-26に公開中

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