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
|
|
2PV2
 | |
2PV1
 | |
4TNS
 | |
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: | 2023-07-26 | | 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
|
|
6GMP
 | | CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF TBPAR42 | | Descriptor: | PARVULIN 42 | | Authors: | Hoenig, D, Rute, A, Hofmann, E, Bayer, P, Gasper, R. | | Deposit date: | 2018-05-28 | | Release date: | 2019-03-20 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Analysis of the 42 kDa Parvulin ofTrypanosoma brucei.
Biomolecules, 9, 2019
|
|
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
|
|
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
|
|
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
|
|
2ZQT
 | |
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
|
|
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
|
|
3GPK
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6VJ4
 | | 1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis | | Descriptor: | Peptidylprolyl isomerase PrsA | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-01-14 | | Release date: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis
To Be Published
|
|
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
|
|
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
|
|
4TYO
 | | PPIase in complex with a non-phosphate small molecule inhibitor. | | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Greasley, S.E, Ferre, R.A. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
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
|
|
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
|
|
2XP4
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 2-phenyl-1H-imidazole-4-carboxylic acid, DODECAETHYLENE GLYCOL, 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: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
