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6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L88
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BU of 6l88 by Molmil
Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone
Descriptor: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, Mineralocorticoid receptor
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2019-11-05
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150).
Febs Lett., 594, 2020
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
6L38
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BU of 6l38 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.761 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 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
6LO9
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BU of 6lo9 by Molmil
Crystal structure of RORgammat with ligand C46D bound
Descriptor: 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
Authors:Feng, Y, Shijie, C.
Deposit date:2020-01-04
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86004949 Å)
Cite:Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LX4
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BU of 6lx4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
Descriptor: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-12-28
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6LOB
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BU of 6lob by Molmil
Crystal structure of RORgammat with ligand C46D bound
Descriptor: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma
Authors:Feng, Y, Shijie, C.
Deposit date:2020-01-04
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.40006661 Å)
Cite:Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LX9
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BU of 6lx9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding
Descriptor: ARACHIDONIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6LOA
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BU of 6loa by Molmil
Crystal structure of RORgammat with ligand C46D bound
Descriptor: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide, Nuclear receptor ROR-gamma
Authors:Feng, Y, Shijie, C.
Deposit date:2020-01-04
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.50003314 Å)
Cite:Crystal structure of RORgammat with ligand C46D bound
To Be Published
6LX5
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BU of 6lx5 by Molmil
X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6LX6
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BU of 6lx6 by Molmil
X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding
Descriptor: GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LXB
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BU of 6lxb by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking
Descriptor: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.85 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
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
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
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
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
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

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数据于2024-08-28公开中

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