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6MGN
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BU of 6mgn by Molmil
mouse Id1 (51-104) - human hE47 (348-399) complex
Descriptor: DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha
Authors:Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MGM
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BU of 6mgm by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
Descriptor: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-12-13
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6LB6
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BU of 6lb6 by Molmil
Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
Descriptor: 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
To Be Published
6LB5
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BU of 6lb5 by Molmil
Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator
Descriptor: 6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator
To Be Published
6LB4
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BU of 6lb4 by Molmil
Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
Descriptor: 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ...
Authors:Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
6KNW
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BU of 6knw by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNU
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BU of 6knu by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6ILQ
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BU of 6ilq by Molmil
Crystal structure of PPARgamma with compound BR101549
Descriptor: Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate
Authors:Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H.
Deposit date:2018-10-19
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR.
Bioorg.Med.Chem.Lett., 29, 2019
6ICJ
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BU of 6icj by Molmil
Crystal structure of PPARgamma with compound BR102375K
Descriptor: 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Hong, E, Chin, J, Jang, T.H, Kim, K.H, Jung, W, Kim, S.H.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Crystal structure of PPARgamma with compound BR102375K
To Be Published
6I7R
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BU of 6i7r by Molmil
Structure of pVHL-elongin B-elongin C (VCB) in complex with hydroxylated-HIF-2alpha (523-542) in the P43212 form
Descriptor: Elongin-B, Elongin-C, Endothelial PAS domain-containing protein 1, ...
Authors:Chowdhury, R, Aguilera, L.S, Schofield, C.J.
Deposit date:2018-11-17
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:HIF-2alpha-pVHL-elongin B-elongin C complex
To Be Published
6I7Q
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BU of 6i7q by Molmil
Structure of pVHL-elongin B-elongin C (VCB) in complex with hydroxylated-HIF-2alpha (523-542) in the C2221 form
Descriptor: Elongin-B, Elongin-C, Endothelial PAS domain-containing protein 1, ...
Authors:Chowdhury, R, Aguilera, L.S, Schofield, C.J.
Deposit date:2018-11-17
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:HIF-2alpha-pVHL-elongin B-elongin C complex
To Be Published
6HTY
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BU of 6hty by Molmil
PXR in complex with P2X4 inhibitor compound 25
Descriptor: (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S.
Deposit date:2018-10-05
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile.
J.Med.Chem., 62, 2019
6GG8
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BU of 6gg8 by Molmil
Mineralocorticoid receptor in complex with (s)-13
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ...
Authors:Edman, K, Aagaard, A, Tangefjord, S.
Deposit date:2018-05-03
Release date:2019-01-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
6GEV
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BU of 6gev by Molmil
Mineralocorticoid receptor in complex with (s)-13
Descriptor: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Edman, K, Aagaard, A, Tangefjord, S.
Deposit date:2018-04-27
Release date:2019-01-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
6G6L
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BU of 6g6l by Molmil
The crystal structures of Human MYC:MAX bHLHZip complex
Descriptor: Myc proto-oncogene protein, Protein max, SULFATE ION
Authors:Allen, M.D, Zinzalla, G.
Deposit date:2018-04-01
Release date:2019-04-10
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA.
Biochemistry, 58, 2019
6G6K
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BU of 6g6k by Molmil
The crystal structures of Human MYC:MAX bHLHZip complex
Descriptor: CHLORIDE ION, Myc proto-oncogene protein, Protein max
Authors:Allen, M.D, Zinzalla, G.
Deposit date:2018-04-01
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA.
Biochemistry, 58, 2019
6G6J
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BU of 6g6j by Molmil
The crystal structures of Human MYC:MAX bHLHZip complex
Descriptor: Myc proto-oncogene protein, Protein max, SULFATE ION
Authors:Allen, M.D, Zinzalla, G.
Deposit date:2018-04-01
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA.
Biochemistry, 58, 2019
6FX5
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BU of 6fx5 by Molmil
MITF dimerization mutant
Descriptor: Microphthalmia-associated transcription factor, SULFATE ION
Authors:Pogenberg, V, Milewski, M, Wilmanns, M.
Deposit date:2018-03-08
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanism of conditional partner selectivity in MITF/TFE family transcription factors with a conserved coiled coil stammer motif.
Nucleic Acids Res., 48, 2020
6FO7
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BU of 6fo7 by Molmil
Vitamin D nuclear receptor complex 3
Descriptor: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2018-02-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6ES7
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BU of 6es7 by Molmil
Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins
Descriptor: CREB-binding protein, Nuclear receptor coactivator 3
Authors:Chi, N.C.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins.
Sci Adv, 4, 2018
6EL9
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BU of 6el9 by Molmil
Glucocorticoid Receptor in complex with AZD9567
Descriptor: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL7
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BU of 6el7 by Molmil
Glucocorticoid Receptor in complex with compound 31
Descriptor: 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL6
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BU of 6el6 by Molmil
Glucocorticoid Receptor in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018

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数据于2024-06-19公开中

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