7AZ2
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![BU of 7az2 by Molmil](/molmil-images/mine/7az2) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014 | Descriptor: | 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | Deposit date: | 2020-11-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7AZ1
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![BU of 7az1 by Molmil](/molmil-images/mine/7az1) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013 | Descriptor: | 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | Deposit date: | 2020-11-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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3I6C
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![BU of 3i6c by Molmil](/molmil-images/mine/3i6c) | Structure-Based Design of Novel PIN1 Inhibitors (II) | Descriptor: | 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2009-07-06 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (II). Bioorg.Med.Chem.Lett., 20, 2010
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4TNS
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![BU of 4tns by Molmil](/molmil-images/mine/4tns) | |
1PIN
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![BU of 1pin by Molmil](/molmil-images/mine/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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7AXN
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![BU of 7axn by Molmil](/molmil-images/mine/7axn) | 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 | Descriptor: | 14-3-3 protein sigma, 3-chloranyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | Deposit date: | 2020-11-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7BG3
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![BU of 7bg3 by Molmil](/molmil-images/mine/7bg3) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046 | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-01-05 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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3TC5
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![BU of 3tc5 by Molmil](/molmil-images/mine/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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6VAJ
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![BU of 6vaj by Molmil](/molmil-images/mine/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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2ITK
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![BU of 2itk by Molmil](/molmil-images/mine/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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2ZQT
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![BU of 2zqt by Molmil](/molmil-images/mine/2zqt) | |
7AOG
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![BU of 7aog by Molmil](/molmil-images/mine/7aog) | 14-3-3 sigma in complex with Pin1 binding site pS72 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2020-10-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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5VTJ
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![BU of 5vtj by Molmil](/molmil-images/mine/5vtj) | Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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2Q5A
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![BU of 2q5a by Molmil](/molmil-images/mine/2q5a) | human Pin1 bound to L-PEPTIDE | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Noel, J.P, Zhang, Y. | Deposit date: | 2007-05-31 | Release date: | 2007-06-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for high-affinity peptide inhibition of human Pin1. Acs Chem.Biol., 2, 2007
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2F21
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![BU of 2f21 by Molmil](/molmil-images/mine/2f21) | human Pin1 Fip mutant | Descriptor: | PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jager, M, Zhang, Y, Bowman, M.E, Noel, J.P, Kelly, J.W. | Deposit date: | 2005-11-15 | Release date: | 2006-06-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-function-folding relationship in a WW domain. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6O34
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![BU of 6o34 by Molmil](/molmil-images/mine/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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7NJ6
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![BU of 7nj6 by Molmil](/molmil-images/mine/7nj6) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 | Descriptor: | 14-3-3 protein sigma, 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6DUN
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![BU of 6dun by Molmil](/molmil-images/mine/6dun) | Crystal Structure Analysis of PIN1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III) | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2018-06-21 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells. Nat Commun, 9, 2018
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8C2G
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![BU of 8c2g by Molmil](/molmil-images/mine/8c2g) | |
8C3C
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![BU of 8c3c by Molmil](/molmil-images/mine/8c3c) | |
4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/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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3WH0
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![BU of 3wh0 by Molmil](/molmil-images/mine/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: | 2024-05-29 | 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
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7BGV
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![BU of 7bgv by Molmil](/molmil-images/mine/7bgv) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012 | Descriptor: | 14-3-3 protein sigma, 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-01-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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4U85
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![BU of 4u85 by Molmil](/molmil-images/mine/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
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7NIF
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![BU of 7nif by Molmil](/molmil-images/mine/7nif) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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