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7Y62
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BU of 7y62 by Molmil
Crystal structure of human TFEB HLHLZ domain
Descriptor: Transcription factor EB
Authors:Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J.
Deposit date:2022-06-18
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
Descriptor: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7ZUB
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BU of 7zub by Molmil
Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex
Descriptor: (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ...
Authors:Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W.
Deposit date:2022-05-12
Release date:2022-11-23
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
7ZTL
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BU of 7ztl by Molmil
Crystal structure of a covalently linked Aurora-A N-Myc complex
Descriptor: 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Diebold, M, Schindelin, H.
Deposit date:2022-05-11
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a covalently linked Aurora-A-MYCN complex.
Acta Crystallogr D Struct Biol, 79, 2023
7UXH
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BU of 7uxh by Molmil
cryo-EM structure of the mTORC1-TFEB-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Cui, Z, Hurley, J.
Deposit date:2022-05-05
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Nature, 614, 2023
7UXC
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BU of 7uxc by Molmil
cryo-EM structure of the mTORC1-TFEB-Rag-Ragulator complex with symmetry expansion
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Cui, Z, Hurley, J.
Deposit date:2022-05-05
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Nature, 614, 2023
7UX2
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BU of 7ux2 by Molmil
cryo-EM structure of the Raptor-TFEB-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cui, Z, Hurley, J.
Deposit date:2022-05-04
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Nature, 614, 2023
7UW2
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BU of 7uw2 by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Chattopadhyay, D, Yang, Z, Atigadda, V.
Deposit date:2022-05-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
7UW4
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BU of 7uw4 by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Chattopadhyay, D, Yang, Z, Atigadda, V.
Deposit date:2022-05-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
7XI4
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BU of 7xi4 by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-12
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.707 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XI3
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BU of 7xi3 by Molmil
Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-11
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.274 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XHV
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BU of 7xhv by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-10
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.996 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZFX
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BU of 7zfx by Molmil
VDR complex with Aromatic-D-Ring Analog
Descriptor: (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
7ZFG
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BU of 7zfg by Molmil
VDR complex with aromatic D-ring analog
Descriptor: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
7UJV
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BU of 7ujv by Molmil
Structure of PHD2 in complex with HIF2a-CODD
Descriptor: Egl nine homolog 1, Endothelial PAS domain-containing protein 1, FE (III) ION, ...
Authors:Ferens, F.G, Tarade, D, Lee, J.E, Ohh, M.
Deposit date:2022-03-31
Release date:2023-04-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deficiency in PHD2-mediated hydroxylation of HIF2 alpha underlies Pacak-Zhuang syndrome.
Commun Biol, 7, 2024
7Z5I
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BU of 7z5i by Molmil
Transcription factor MYF5 bound to symmetrical site
Descriptor: DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2022-03-09
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transcription factor MYF5 bound to symmetrical site
To Be Published
7Z5K
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BU of 7z5k by Molmil
Transcription factor MYF5 bound to non-symmetrical site
Descriptor: DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*TP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*AP*AP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2022-03-09
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Transcription factor MYF5 bound to non-symmetrical site
To Be Published
7WZ6
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BU of 7wz6 by Molmil
Crystal structure of MyoD-E47
Descriptor: Isoform E47 of Transcription factor E2-alpha, Myoblast determination protein 1
Authors:Zhong, J, Huang, Y, Ma, J.
Deposit date:2022-02-17
Release date:2022-06-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of the bHLH domains of MyoD-E47 heterodimer.
Biochem.Biophys.Res.Commun., 621, 2022
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-01-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
7QPI
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BU of 7qpi by Molmil
Structure of lamprey VDR in complex with 1,25D3
Descriptor: 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, ...
Authors:Rochel, N.
Deposit date:2022-01-04
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
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)
Descriptor: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION
Authors:Hegedus, Z, Wilson, A.J, Edwards, T.A.
Deposit date:2021-12-10
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
7W80
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BU of 7w80 by Molmil
Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
Descriptor: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Ren, X, Diao, X, Zhuang, J, Wu, D.
Deposit date:2021-12-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
7T2X
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BU of 7t2x by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate
Authors:Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W.
Deposit date:2021-12-06
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
7W3Q
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BU of 7w3q by Molmil
Crystal structure of RORgamma in complex with natural inverse agonist
Descriptor: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2
Authors:Tian, S.Y, Li, Y.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published

221716

数据于2024-06-26公开中

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