1SNK
| Cathepsin K complexed with carbamate derivatized norleucine aldehyde | 分子名称: | Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION | 著者 | Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L. | 登録日 | 2004-03-11 | 公開日 | 2004-06-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1Q6K
| Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate | 分子名称: | Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE | 著者 | Catalano, J.G, Deaton, D.N, Furfine, E.S, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Willard, D.H, Wright, L.L. | 登録日 | 2003-08-13 | 公開日 | 2004-03-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Exploration of the P1 SAR of aldehyde cathepsin K inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1YK8
| Cathepsin K complexed with a cyanamide-based inhibitor | 分子名称: | Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE | 著者 | Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L. | 登録日 | 2005-01-17 | 公開日 | 2005-07-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Acyclic cyanamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
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1YK7
| Cathepsin K complexed with a cyanopyrrolidine inhibitor | 分子名称: | Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | 著者 | Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Tavares, F.X, Willard, D.H, Wright, L.L. | 登録日 | 2005-01-17 | 公開日 | 2005-03-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel and potent cyclic cyanamide-based cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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2AUZ
| Cathepsin K complexed with a semicarbazone inhibitor | 分子名称: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | 著者 | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | 登録日 | 2005-08-29 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg.Med.Chem.Lett., 16, 2006
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1YT7
| Cathepsin K complexed with a constrained ketoamide inhibitor | 分子名称: | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION | 著者 | Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q. | 登録日 | 2005-02-10 | 公開日 | 2005-07-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
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2AUX
| Cathepsin K complexed with a semicarbazone inhibitor | 分子名称: | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K | 著者 | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | 登録日 | 2005-08-29 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg.Med.Chem.Lett., 16, 2006
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3GD2
| isoxazole ligand bound to farnesoid X receptor (FXR) | 分子名称: | 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B. | 登録日 | 2009-02-23 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064. Bioorg.Med.Chem.Lett., 19, 2009
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3HC6
| FXR with SRC1 and GSK088 | 分子名称: | 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2009-05-05 | 公開日 | 2009-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg.Med.Chem.Lett., 19, 2009
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3P88
| FXR bound to isoquinolinecarboxylic acid | 分子名称: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N. | 登録日 | 2010-10-13 | 公開日 | 2011-08-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3P89
| FXR bound to a quinolinecarboxylic acid | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N. | 登録日 | 2010-10-13 | 公開日 | 2011-08-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3DCU
| FXR with SRC1 and GSK8062 | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2008-06-04 | 公開日 | 2008-08-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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3DCT
| FXR with SRC1 and GW4064 | 分子名称: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2008-06-04 | 公開日 | 2008-08-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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3HC5
| FXR with SRC1 and GSK826 | 分子名称: | 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2009-05-05 | 公開日 | 2009-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg.Med.Chem.Lett., 19, 2009
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