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PDB: 94 件

8E1A
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Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
分子名称: 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor
著者Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A.
登録日2022-08-10
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
7ZTZ
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Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ...
著者Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-05-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
4OHA
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Crystal structure of T877A-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-17
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
5V8Q
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Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
分子名称: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2017-03-22
公開日2017-05-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
2AX6
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With Hydroxyflutamide
分子名称: Androgen receptor, HYDROXYFLUTAMIDE
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
3L3X
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Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3
著者Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E.
登録日2009-12-18
公開日2010-01-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
8FH2
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Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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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Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 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
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
2AM9
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Crystal structure of human androgen receptor ligand binding domain in complex with testosterone
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Androgen receptor, GLYCEROL, ...
著者Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
登録日2005-08-09
公開日2006-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
3B66
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
分子名称: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2AX9
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3
分子名称: (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, Androgen receptor
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
2PNU
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Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
分子名称: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
登録日2007-04-25
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
1T65
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Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2
著者Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
登録日2004-05-05
公開日2005-01-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
7ZU1
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BU of 7zu1 by Molmil
Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-05-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
8FH1
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BU of 8fh1 by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
3RLL
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BU of 3rll by Molmil
Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide
分子名称: (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
2AX8
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Crystal Structure Of The Androgen Receptor Ligand Binding Domain W741L Mutant In Complex With S-1
分子名称: Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
著者Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
登録日2005-09-03
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
3V49
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Structure of ar lbd with activator peptide and sarm inhibitor 1
分子名称: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ...
著者Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
登録日2011-12-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
7ZU2
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Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE
著者Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
登録日2022-05-11
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
2AMB
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BU of 2amb by Molmil
Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone
分子名称: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R.
登録日2005-08-09
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity.
Protein Sci., 15, 2006
2PIT
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Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3B5R
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
分子名称: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-26
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
1Z95
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Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide
分子名称: Androgen Receptor, R-BICALUTAMIDE, SULFATE ION
著者Bohl, C.E, Gao, W, Miller, D.D, Bell, C.E, Dalton, J.T.
登録日2005-03-31
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for antagonism and resistance of bicalutamide in prostate cancer.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3B65
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
分子名称: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008

 

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