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7CFO
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BU of 7cfo by Molmil
Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE.
Descriptor: 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha
Authors:Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H.
Deposit date:2020-06-27
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers.
J.Med.Chem., 64, 2021
3Q95
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Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol
Descriptor: CHLORIDE ION, ESTRIOL, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2011-01-07
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and Estriol
TO BE PUBLISHED
7E0A
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BU of 7e0a by Molmil
X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization
Descriptor: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I.
Deposit date:2021-01-27
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist.
Biol.Pharm.Bull., 44, 2021
7F80
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BU of 7f80 by Molmil
Co-crystal structure of Inhibitor compound MA-211 in complex with human PPARdelta LBD
Descriptor: (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
Deposit date:2021-06-30
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
To Be Published
3QT0
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Revealing a steroid receptor ligand as a unique PPARgamma agonist
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Nuclear receptor coactivator 1 peptide, Peroxisome proliferator-activated receptor gamma
Authors:Rong, H.
Deposit date:2011-02-22
Release date:2012-02-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Revealing a steroid receptor ligand as a unique PPAR gamma agonist.
Cell Res., 22, 2012
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
3TKC
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BU of 3tkc by Molmil
Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains
Descriptor: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2011-08-26
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
3TKM
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BU of 3tkm by Molmil
Crystal structure PPAR delta binding GW0742
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor delta, {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
Authors:Trivella, D.B.B, Batista, F.H, Polikarpov, I.
Deposit date:2011-08-27
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.
Plos One, 7, 2012
8F8M
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BU of 8f8m by Molmil
LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
Descriptor: (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
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
7PRX
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BU of 7prx by Molmil
wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment
Descriptor: Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat
Authors:Edman, K, Wissler, L, Koehler, C, Postel, S.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
8FB2
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BU of 8fb2 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FB1
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BU of 8fb1 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FPE
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BU of 8fpe by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP
Descriptor: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
Deposit date:2023-01-04
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FGZ
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BU of 8fgz by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH0
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BU of 8fh0 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH2
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BU of 8fh2 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FGY
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BU of 8fgy by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH1
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BU of 8fh1 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-12-13
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
Descriptor: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
Authors:Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
Deposit date:2021-11-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
7QB1
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BU of 7qb1 by Molmil
PPARg in complex with inhibitor
Descriptor: 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Petersen, J.
Deposit date:2021-11-17
Release date:2022-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation.
Acs Med.Chem.Lett., 13, 2022
7Q71
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BU of 7q71 by Molmil
The crystallographic structure of the Ligand Binding domain of the NR7 nuclear receptor from the amphioxus Branchiostoma lanceolatum
Descriptor: CHLORIDE ION, Nuclear hormone receptor 7, PHOSPHATE ION
Authors:Billas, I.M.L, McEwen, A.G, Hazemann, I, Moras, D, Laudet, V.
Deposit date:2021-11-09
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel nuclear receptor subfamily enlightens the origin of heterodimerization.
Bmc Biol., 20, 2022
7QAA
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BU of 7qaa by Molmil
Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid
Descriptor: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ...
Authors:le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w.
Deposit date:2021-11-16
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
8FHE
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BU of 8fhe by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
To Be Published
8FHF
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BU of 8fhf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
To Be Published
8FHG
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Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
Descriptor: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
To Be Published

221051

數據於2024-06-12公開中

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