3KAF
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | 分子名称: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | 登録日 | 2009-10-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KAG
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | 分子名称: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | 登録日 | 2009-10-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KAH
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | 分子名称: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | 登録日 | 2009-10-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KAI
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | 分子名称: | (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | 登録日 | 2009-10-19 | 公開日 | 2009-12-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KCE
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | 分子名称: | 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | 登録日 | 2009-10-21 | 公開日 | 2009-12-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3NTP
| Human Pin1 complexed with reduced amide inhibitor | 分子名称: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Zhang, Y. | 登録日 | 2010-07-05 | 公開日 | 2012-01-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | 主引用文献 | A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state. Biochemistry, 50, 2011
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3ODK
| Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | 登録日 | 2010-08-11 | 公開日 | 2010-10-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg.Med.Chem.Lett., 20, 2010
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3OLM
| Structure and Function of a Ubiquitin Binding Site within the Catalytic Domain of a HECT Ubiquitin Ligase | 分子名称: | E3 ubiquitin-protein ligase RSP5, Ubiquitin | 著者 | Kim, H.C, Steffen, A, Chen, J, Huibregtse, J.M. | 登録日 | 2010-08-26 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Structure and function of a HECT domain ubiquitin-binding site. Embo Rep., 12, 2011
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3OOB
| Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate | 分子名称: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | 著者 | Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z. | 登録日 | 2010-08-30 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1. Cancer Prev Res (Phila), 4, 2011
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3TC5
| Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives | 分子名称: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T. | 登録日 | 2011-08-08 | 公開日 | 2011-08-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives. Acs Chem.Biol., 6, 2011
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3TCZ
| Human Pin1 bound to cis peptidomimetic inhibitor | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Zhang, M, Zhang, Y. | 登録日 | 2011-08-09 | 公開日 | 2012-06-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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3TDB
| Human Pin1 bound to trans peptidomimetic inhibitor | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Zhang, M, Zhang, Y. | 登録日 | 2011-08-10 | 公開日 | 2012-06-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.267 Å) | 主引用文献 | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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3WH0
| Structure of Pin1 Complex with 18-crown-6 | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | 著者 | Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. | 登録日 | 2013-08-20 | 公開日 | 2014-10-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
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4GWT
| Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid | 分子名称: | (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | 登録日 | 2012-09-03 | 公開日 | 2013-10-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
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4GWV
| Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate | 分子名称: | CITRATE ANION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | 登録日 | 2012-09-03 | 公開日 | 2013-10-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
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4LCD
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4N7F
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4N7H
| Crystal Structure of the Complex of 3rd WW domain of Human Nedd4 and 1st PPXY Motif of ARRDC3 | 分子名称: | Arrestin domain-containing protein 3, E3 ubiquitin-protein ligase NEDD4, GUANIDINE | 著者 | Qi, S, O'Hayre, M, Gutkind, J.S, Hurley, J. | 登録日 | 2013-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3). J.Biol.Chem., 289, 2014
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4QIB
| Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | 著者 | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | 登録日 | 2014-05-30 | 公開日 | 2015-02-04 | 最終更新日 | 2015-03-04 | 実験手法 | X-RAY DIFFRACTION (1.865 Å) | 主引用文献 | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1. Biochim.Biophys.Acta, 1852, 2015
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4REX
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4ROF
| Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide | 分子名称: | E3 ubiquitin-protein ligase Itchy homolog, Thioredoxin-interacting protein | 著者 | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2014-10-28 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide To be Published
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4U84
| Human Pin1 with S-hydroxyl-cysteine 113 | 分子名称: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Li, W, Zhang, Y. | 登録日 | 2014-08-01 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U85
| Human Pin1 with cysteine sulfinic acid 113 | 分子名称: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Li, W, Zhang, Y. | 登録日 | 2014-08-01 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U86
| Human Pin1 with cysteine sulfonic acid 113 | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Li, W, Zhang, Y. | 登録日 | 2014-08-01 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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5AHT
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