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1F8A	STRUCTURAL BASIS FOR THE PHOSPHOSERINE-PROLINE RECOGNITION BY GROUP IV WW DOMAINS Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1, Y(SEP)PT(SEP)S PEPTIDE Authors: Verdecia, M.A, Bowman, M.E, Lu, K.P, Hunter, T, Noel, J.P. Deposit date: 2000-06-29 Release date: 2000-08-23 Last modified: 2013-05-22 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural basis for phosphoserine-proline recognition by group IV WW domains. Nat.Struct.Biol., 7, 2000
3OOB	Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate Descriptor: (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, ... Authors: Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z. Deposit date: 2010-08-30 Release date: 2011-08-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1. Cancer Prev Res (Phila), 4, 2011
4QIB	Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 Descriptor: 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 Authors: Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. Deposit date: 2014-05-30 Release date: 2015-02-04 Last modified: 2015-03-04 Method: X-RAY DIFFRACTION (1.865 Å) Cite: Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1. Biochim.Biophys.Acta, 1852, 2015
3WH0	Structure of Pin1 Complex with 18-crown-6 Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J. Deposit date: 2013-08-20 Release date: 2014-10-15 Last modified: 2022-08-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crowning proteins: modulating the protein surface properties using crown ethers. Angew.Chem.Int.Ed.Engl., 53, 2014
4U85	Human Pin1 with cysteine sulfinic acid 113 Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Li, W, Zhang, Y. Deposit date: 2014-08-01 Release date: 2015-04-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
4U86	Human Pin1 with cysteine sulfonic acid 113 Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Li, W, Zhang, Y. Deposit date: 2014-08-01 Release date: 2015-04-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
4U84	Human Pin1 with S-hydroxyl-cysteine 113 Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Li, W, Zhang, Y. Deposit date: 2014-08-01 Release date: 2015-04-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
7EKV	Crystal Structure of human Pin1 complexed with a covalent inhibitor Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Liu, L, Li, J. Deposit date: 2021-04-06 Release date: 2022-02-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
7EFJ	Crystal Structure Analysis of human PIN1 Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Liu, L, Li, J. Deposit date: 2021-03-21 Release date: 2022-02-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.992 Å) Cite: Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
7EFX	Crystal Structure of human PIN1 complexed with covalent inhibitor Descriptor: 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Liu, L, Li, J, Zhu, R, Pei, Y. Deposit date: 2021-03-23 Release date: 2022-02-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
5B3Y	Crystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Hanazono, Y, Takeda, K, Miki, K. Deposit date: 2016-03-17 Release date: 2016-10-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.901 Å) Cite: Structural studies of the N-terminal fragments of the WW domain: Insights into co-translational folding of a beta-sheet protein Sci Rep, 6, 2016
7F0M	Crystal Structure of human Pin1 complexed with a potent covalent inhibitor Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Liu, L, Li, J. Deposit date: 2021-06-05 Release date: 2022-02-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
5B3Z	Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Hanazono, Y, Takeda, K, Miki, K. Deposit date: 2016-03-17 Release date: 2016-10-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural studies of the N-terminal fragments of the WW domain: Insights into co-translational folding of a beta-sheet protein Sci Rep, 6, 2016
5BMY	Crystal structure of hPin1 WW domain (5-21) fused with maltose-binding protein Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Hanazono, Y, Takeda, K, Miki, K. Deposit date: 2015-05-25 Release date: 2016-10-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Structural studies of the N-terminal fragments of the WW domain: Insights into co-translational folding of a beta-sheet protein Sci Rep, 6, 2016
7KKF	Crystal Structure of S. cerevisiae Ess1 Descriptor: Peptidyl-prolyl cis-trans isomerase ESS1 Authors: Namitz, K.E.W, Alicea-Velazquez, N.L, Cosgrove, M.S, Hanes, S.D. Deposit date: 2020-10-27 Release date: 2021-03-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure analysis suggests Ess1 isomerizes the carboxy-terminal domain of RNA polymerase II via a bivalent anchoring mechanism. Commun Biol, 4, 2021
5TJ8	Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed) Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION Authors: Chen, Z, Gabelli, S.B. Deposit date: 2016-10-03 Release date: 2017-06-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: A Tunable Brake for HECT Ubiquitin Ligases. Mol. Cell, 66, 2017
5TJ7	Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865 Descriptor: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ... Authors: Chen, Z, Gabelli, S.B. Deposit date: 2016-10-03 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: A Tunable Brake for HECT Ubiquitin Ligases. Mol. Cell, 66, 2017
5TJQ	Structure of WWP2 2,3-linker-HECT Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2 Authors: Chen, Z, Gabelli, S.B. Deposit date: 2016-10-04 Release date: 2017-05-31 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.75 Å) Cite: A Tunable Brake for HECT Ubiquitin Ligases. Mol. Cell, 66, 2017
5UY9	Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Dong, S.-H, Nair, S. Deposit date: 2017-02-23 Release date: 2017-04-26 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4. Oncogene, 36, 2017
3KAF	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KAH	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: 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 Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KAI	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: (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 Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KAD	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KAB	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: 6-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KAG	Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Descriptor: 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Authors: Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. Deposit date: 2009-10-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010

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