9IT1
| Crystal structure of Pin1 using laue diffraction | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Sun, B, Qi, Q, Xiao, Q.J, Wang, Z.J. | Deposit date: | 2024-07-19 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Prolyl Isomerase NIMA-interacting 1 (Pin1) using laue diffraction To Be Published
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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
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9INR
| Crystal structure of PIN1 in complex with inhibitor C3 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | Authors: | Zhang, L.Y. | Deposit date: | 2024-07-08 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs. J.Med.Chem., 67, 2024
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7SUR
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6O34
| Crystal Structure Analysis of PIN1 | Descriptor: | GLYCEROL, NONAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal Structure Analysis of PIN1 To be Published
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7SUQ
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6O33
| Crystal Structure Analysis of PIN1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-02-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure Analysis of PIN1 To be Published
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8HM3
| Complex of PPIase-BfUbb | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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6VAJ
| Crystal Structure Analysis of human PIN1 | Descriptor: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-12-17 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo. Nat.Chem.Biol., 17, 2021
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1ZCN
| human Pin1 Ng mutant | Descriptor: | PENTAETHYLENE GLYCOL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jager, M, Zhang, Y, Nguyen, H, Dendel, G, Bowman, M.E, Gruebele, M, Noel, J.P, Kelly, J.W. | Deposit date: | 2005-04-12 | Release date: | 2006-06-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function-folding relationship in a WW domain. Proc.Natl.Acad.Sci.Usa, 103, 2006
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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
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1YW5
| Peptidyl-prolyl isomerase ESS1 from Candida albicans | Descriptor: | peptidyl prolyl cis/trans isomerase | Authors: | Li, Z, Li, H, Devasahayam, G, Gemmill, T, Chaturvedi, V, Hanes, S.D, Van Roey, P. | Deposit date: | 2005-02-17 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of the Candida albicans Ess1 Prolyl Isomerase Reveals a Well-Ordered Linker that Restricts Domain Mobility Biochemistry, 44, 2005
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1PIN
| PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ... | Authors: | Noel, J.P, Ranganathan, R, Hunter, T. | Deposit date: | 1998-06-21 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent. Cell(Cambridge,Mass.), 89, 1997
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3NTP
| Human Pin1 complexed with reduced amide inhibitor | Descriptor: | (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 | Authors: | Zhang, Y. | Deposit date: | 2010-07-05 | Release date: | 2012-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg.Med.Chem.Lett., 20, 2010
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1NMV
| Solution structure of human Pin1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Bayer, E, Goettsch, S, Mueller, J.W, Griewel, B, Guiberman, E, Mayr, L, Bayer, P. | Deposit date: | 2003-01-11 | Release date: | 2003-08-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Analysis of the Mitotic Regulator hPin1 in Solution: INSIGHTS INTO DOMAIN ARCHITECTURE AND SUBSTRATE BINDING. J.Biol.Chem., 278, 2003
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3TC5
| Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives | Descriptor: | (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 | Authors: | Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T. | Deposit date: | 2011-08-08 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives. Acs Chem.Biol., 6, 2011
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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
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3TDB
| Human Pin1 bound to trans peptidomimetic inhibitor | Descriptor: | 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 | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2011-08-10 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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3TCZ
| Human Pin1 bound to cis peptidomimetic inhibitor | Descriptor: | 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 | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2011-08-09 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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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
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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
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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
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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: | 2024-10-09 | 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
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2ITK
| human Pin1 bound to D-PEPTIDE | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, D-Peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Noel, J.P, Zhang, Y. | Deposit date: | 2006-10-19 | Release date: | 2007-05-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for high-affinity peptide inhibition of human Pin1. Acs Chem.Biol., 2, 2007
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