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8HUO	X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization Descriptor: Peroxisome proliferator-activated receptor delta, Seladelpar Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.671 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUN	X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUM	X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUL	X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization Descriptor: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor delta Authors: Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.461 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HUK	X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha Authors: Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. Deposit date: 2022-12-24 Release date: 2023-08-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.981 Å) Cite: Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
8HHQ	Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma Authors: Kojima, H, Itoh, T. Deposit date: 2022-11-16 Release date: 2023-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry. J.Med.Chem., 66, 2023
8HHP	Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175 Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma Authors: Kojima, H, Itoh, T. Deposit date: 2022-11-16 Release date: 2023-11-22 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry. J.Med.Chem., 66, 2023
8HF8	Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 Descriptor: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside Authors: Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. Deposit date: 2022-11-09 Release date: 2023-09-06 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
8HD3	Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide Descriptor: Farnesoid X Receptor, [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone Authors: Lu, X, Zhang, H. Deposit date: 2022-11-03 Release date: 2023-11-08 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Crystal structure of FXR fused with a HD3 peptide in complex with agonist QT0127 To Be Published
8GXP	Complex structure of RORgama with betulinic acid Descriptor: Betulinic acid, Nuclear receptor ROR-gamma Authors: Zhang, X.L, Xu, C, Bai, F. Deposit date: 2022-09-20 Release date: 2023-06-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
8FPE	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
8FKG	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486 To Be Published
8FKF	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706 To Be Published
8FKE	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904 To Be Published
8FKD	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068 To Be Published
8FKC	Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544 Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ... Authors: MacTavish, B.S, Kojetin, D.J. Deposit date: 2022-12-21 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544 To Be Published
8FHG	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
8FHF	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
8FHE	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
8FH2	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
8FH1	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
8FH0	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
8FGZ	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
8FGY	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
8FFW	Cryo-EM structure of the GR-Hsp90-FKBP51 complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... Authors: Noddings, C.M, Agard, D.A. Deposit date: 2022-12-10 Release date: 2023-11-01 Last modified: 2023-12-20 Method: ELECTRON MICROSCOPY (3.23 Å) Cite: Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023

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